3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide

C23H33N3O3S — CID 70913607

IUPAC3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide
SMILESCc1c(S(N)(=O)=O)cc(-c2cc(C(N)=O)cc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C23H33N3O3S/c1-15-21(30(25,28)29)13-20(26(15)14-16-8-6-5-7-9-16)17-10-18(22(24)27)12-19(11-17)23(2,3)4/h10-13,16H,5-9,14H2,1-4H3,(H2,24,27)(H2,25,28,29)
InChIKeyHPQUZYDTMDJETN-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.09
Rot. Bonds5

About 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide

3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide (PubChem CID 70913607) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide.

Molecular Properties

Compound Name3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide
PubChem CID70913607
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide
SMILESCc1c(S(N)(=O)=O)cc(-c2cc(C(N)=O)cc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C23H33N3O3S/c1-15-21(30(25,28)29)13-20(26(15)14-16-8-6-5-7-9-16)17-10-18(22(24)27)12-19(11-17)23(2,3)4/h10-13,16H,5-9,14H2,1-4H3,(H2,24,27)(H2,25,28,29)
InChIKeyHPQUZYDTMDJETN-UHFFFAOYSA-N
XLogP4.09
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-N-methyl-N-(2-methylpropyl)benzamide
CID 70913675
N-tert-butyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-5-(trifluoromethyl)benzamide
CID 70913676
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-ethylpyrrole-3-sulfonamide
CID 70913716
5-[3-tert-butyl-5-(2-morpholin-4-ylethoxy)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913411
1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide
CID 123508986
[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]-cyclopropylmethanone
CID 118544985
5-(7-tert-butyl-3-methyl-2H-indazol-5-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913763
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562837
5-(3-tert-butyl-4-morpholin-4-ylsulfonylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70914900
5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562640
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrrole-3-carboxamide
CID 71566779
2,4-dichloro-1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)pyrrole-3-sulfonamide
CID 70913853

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide?
The IUPAC name of 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide (CID 70913607) is 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide.
What is the SMILES notation for 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide?
The canonical SMILES for 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide is Cc1c(S(N)(=O)=O)cc(-c2cc(C(N)=O)cc(C(C)(C)C)c2)n1CC1CCCCC1.
What is the InChIKey of 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide?
The InChIKey is HPQUZYDTMDJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-15-21(30(25,28)29)13-20(26(15)14-16-8-6-5-7-9-16)17-10-18(22(24)27)12-19(11-17)23(2,3)4/h10-13,16H,5-9,14H2,1-4H3,(H2,24,27)(H2,25,28,29).
What are the key properties of 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide?
3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide has a molecular weight of 431.60 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide is sourced from PubChem (CID 70913607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).