N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

C23H32FN3O3S — CID 34134358

IUPACN-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n(C)c1
InChIInChI=1S/C23H32FN3O3S/c1-4-26(5-2)31(29,30)21-15-22(25(3)17-21)23(28)27(20-9-7-6-8-10-20)16-18-11-13-19(24)14-12-18/h11-15,17,20H,4-10,16H2,1-3H3
InChIKeyFXCDZBGATWLXFV-UHFFFAOYSA-N
MW449.59 g/mol
LogP4.17
Rot. Bonds8

About N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 34134358) has the molecular formula C23H32FN3O3S and a molecular weight of 449.59 g/mol. Its IUPAC name is N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID34134358
Molecular FormulaC23H32FN3O3S
Molecular Weight449.59 g/mol
Exact Mass449.21
IUPAC NameN-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n(C)c1
InChIInChI=1S/C23H32FN3O3S/c1-4-26(5-2)31(29,30)21-15-22(25(3)17-21)23(28)27(20-9-7-6-8-10-20)16-18-11-13-19(24)14-12-18/h11-15,17,20H,4-10,16H2,1-3H3
InChIKeyFXCDZBGATWLXFV-UHFFFAOYSA-N
XLogP4.17
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 51265193
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
CID 55633668
4-(diethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 16574101
N-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3740603
5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 8834530
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 24531369
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 31425302
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46648554
N-cyclohexyl-N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55327533
4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106608029
N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 29261731

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 34134358) is N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n(C)c1.
What is the InChIKey of N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is FXCDZBGATWLXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O3S/c1-4-26(5-2)31(29,30)21-15-22(25(3)17-21)23(28)27(20-9-7-6-8-10-20)16-18-11-13-19(24)14-12-18/h11-15,17,20H,4-10,16H2,1-3H3.
What are the key properties of N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 449.59 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 34134358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).