N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C18H23N3O3S — CID 17473694

IUPACN-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1C
InChIInChI=1S/C18H23N3O3S/c1-13-6-7-15(10-14(13)2)19-18(22)17-11-16(12-20(17)3)25(23,24)21-8-4-5-9-21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyHNPYBKFRNMZPFB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.68
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17473694) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID17473694
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1C
InChIInChI=1S/C18H23N3O3S/c1-13-6-7-15(10-14(13)2)19-18(22)17-11-16(12-20(17)3)25(23,24)21-8-4-5-9-21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyHNPYBKFRNMZPFB-UHFFFAOYSA-N
XLogP2.68
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bersacapavir
CID 121294984
N-(1-((3,4-dimethylphenyl)sulfonyl)-1H-pyrrol-3-yl)picolinamide
CID 52914664
ethyl 4-({[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3243572
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-ethyl-1-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 6623939
1-[1-Methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-4-phenylpiperazine
CID 6625570
N,1-Dimethyl-N-(4-methylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6625756
N-(4-Ethylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6626029
1-(2,5-Dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
CID 16017803
1-Methyl-4-(pyrrolidine-1-sulfonyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16017823
N-(2,6-diethylphenyl)-4-(2,3-dihydro-1H-indole-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 16017885
4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16018573
N~2~-(2,3-Dimethylphenyl)-4-(piperidinosulfonyl)-1H-pyrrole-2-carboxamide
CID 16018581

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 17473694) is N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is HNPYBKFRNMZPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-6-7-15(10-14(13)2)19-18(22)17-11-16(12-20(17)3)25(23,24)21-8-4-5-9-21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17473694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).