(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide

C19H25FN4O3S — CID 146120126

IUPAC(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
SMILESCc1nc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N(C)C)[C@@H](c3ccc(F)cc3)C2)cn1C
InChIInChI=1S/C19H25FN4O3S/c1-12-21-18(11-24(12)4)28(26,27)22-15-9-16(13-5-7-14(20)8-6-13)17(10-15)19(25)23(2)3/h5-8,11,15-17,22H,9-10H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyDQCYLLXXLFXEOD-BBWFWOEESA-N
MW408.50 g/mol
LogP1.80
Rot. Bonds5

About (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide

(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 146120126) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID146120126
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
SMILESCc1nc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N(C)C)[C@@H](c3ccc(F)cc3)C2)cn1C
InChIInChI=1S/C19H25FN4O3S/c1-12-21-18(11-24(12)4)28(26,27)22-15-9-16(13-5-7-14(20)8-6-13)17(10-15)19(25)23(2)3/h5-8,11,15-17,22H,9-10H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyDQCYLLXXLFXEOD-BBWFWOEESA-N
XLogP1.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-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

(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120120
N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide
CID 146120096
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 146120385
1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
CID 62063852
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062084
(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine
CID 90404562
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
CID 146120369
N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063676
N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 146120348
N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide
CID 136547327
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]piperidin-1-yl]ethanethioamide
CID 63625246
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-fluorobenzoic acid
CID 51099437

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide (CID 146120126) is (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide is Cc1nc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)N(C)C)[C@@H](c3ccc(F)cc3)C2)cn1C.
What is the InChIKey of (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is DQCYLLXXLFXEOD-BBWFWOEESA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-12-21-18(11-24(12)4)28(26,27)22-15-9-16(13-5-7-14(20)8-6-13)17(10-15)19(25)23(2)3/h5-8,11,15-17,22H,9-10H2,1-4H3/t15-,16+,17-/m0/s1.
What are the key properties of (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 146120126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).