N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C18H23N3O3S — CID 6625756

IUPACN,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-14-6-8-15(9-7-14)20(3)18(22)17-12-16(13-19(17)2)25(23,24)21-10-4-5-11-21/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyIDDBGBHFWBYOLD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.39
Rot. Bonds4

About N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 6625756) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID6625756
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-14-6-8-15(9-7-14)20(3)18(22)17-12-16(13-19(17)2)25(23,24)21-10-4-5-11-21/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyIDDBGBHFWBYOLD-UHFFFAOYSA-N
XLogP2.39
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 52837374
N-(2-methoxyphenyl)-N,1-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22519031
N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22518978
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
N,1-dimethyl-N-[(2-methylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18103125
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119653220
(2,5-dimethylphenyl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 55463542
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55632246
N-(3-cyanophenyl)-1-methyl-4-piperidin-1-ylsulfonyl-N-propan-2-ylpyrrole-2-carboxamide
CID 60615586
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028674
N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028777

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 6625756) is N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cc1ccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1.
What is the InChIKey of N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is IDDBGBHFWBYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-6-8-15(9-7-14)20(3)18(22)17-12-16(13-19(17)2)25(23,24)21-10-4-5-11-21/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 6625756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).