1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide

C29H42F3N7O3S — CID 122541378

IUPAC1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)C2=NNNN2)cn(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c2)c1CC1CCCCC1
InChIInChI=1S/C29H42F3N7O3S/c1-18-21(25(40)33-17-28(5,6)26-34-37-38-35-26)16-39(23(18)14-19-10-8-7-9-11-19)20-12-13-24(22(15-20)29(30,31)32)43(41,42)36-27(2,3)4/h12-13,15-16,19,36-38H,7-11,14,17H2,1-6H3,(H,33,40)(H,34,35)
InChIKeyBXJSLWWTZLJISQ-UHFFFAOYSA-N
MW625.76 g/mol
LogP4.69
Rot. Bonds9

About 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide

1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide (PubChem CID 122541378) has the molecular formula C29H42F3N7O3S and a molecular weight of 625.76 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide
PubChem CID122541378
Molecular FormulaC29H42F3N7O3S
Molecular Weight625.76 g/mol
Exact Mass625.30
IUPAC Name1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)C2=NNNN2)cn(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c2)c1CC1CCCCC1
InChIInChI=1S/C29H42F3N7O3S/c1-18-21(25(40)33-17-28(5,6)26-34-37-38-35-26)16-39(23(18)14-19-10-8-7-9-11-19)20-12-13-24(22(15-20)29(30,31)32)43(41,42)36-27(2,3)4/h12-13,15-16,19,36-38H,7-11,14,17H2,1-6H3,(H,33,40)(H,34,35)
InChIKeyBXJSLWWTZLJISQ-UHFFFAOYSA-N
XLogP4.69
TPSA128.65 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.76
LogP ≤ 54.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide with MolForge

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Related Compounds

1-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-5-(cyclohexylmethyl)-4-methyl-N-(oxan-4-yl)pyrrole-3-carboxamide
CID 118544782
1-[4-tert-butylsulfinamoyl-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[(4-ethylsulfanylphenyl)methyl]-4-methylpyrrole-3-carboxamide
CID 144567411
5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 118539245
N-(4-amino-3,3-dimethyl-4-oxobutyl)-5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
CID 118160611
N-tert-butyl-4-[4-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3-thiazol-5-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 118186018
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-N-(2,2-dimethyl-3-methylsulfonylpropyl)-2-methylpyrrole-3-carboxamide
CID 159155665
5-[4-(tert-butylsulfamoyl)-3-chloro-2-methylphenyl]-4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185798
3-[[5-(cyclohexylmethyl)-1-[3-(2-hydroxypropan-2-yl)-5-(1-methylcyclopropyl)phenyl]-4-methylpyrrole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 118544866
4-[[5-[4-(tert-butylsulfamoyl)-3-(trifluoromethoxy)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 71581686
methyl 4-[[5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-4-fluoropyrazole-3-carbonyl]amino]-2,2-dimethylbutanoate
CID 118539294
2-[5-[5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl acetate
CID 121302025
3-[[4-(cyclohexylmethyl)-5-[4-(2,2-dimethylpropylsulfonyl)-3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 118185640

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide?
The IUPAC name of 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide (CID 122541378) is 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide is Cc1c(C(=O)NCC(C)(C)C2=NNNN2)cn(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c2)c1CC1CCCCC1.
What is the InChIKey of 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide?
The InChIKey is BXJSLWWTZLJISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42F3N7O3S/c1-18-21(25(40)33-17-28(5,6)26-34-37-38-35-26)16-39(23(18)14-19-10-8-7-9-11-19)20-12-13-24(22(15-20)29(30,31)32)43(41,42)36-27(2,3)4/h12-13,15-16,19,36-38H,7-11,14,17H2,1-6H3,(H,33,40)(H,34,35).
What are the key properties of 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide?
1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide has a molecular weight of 625.76 g/mol, XLogP of 4.69, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-5-(cyclohexylmethyl)-N-[2-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylpropyl]-4-methylpyrrole-3-carboxamide is sourced from PubChem (CID 122541378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).