N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C20H26N4O2S — CID 99786618

IUPACN-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C20H26N4O2S/c1-4-17-14(2)9-11-24(17)19(26)15-5-7-16(8-6-15)22-18(25)13-27-20-21-10-12-23(20)3/h5-8,10,12,14,17H,4,9,11,13H2,1-3H3,(H,22,25)/t14-,17-/m0/s1
InChIKeyUXCXMDKJUWWCIY-YOEHRIQHSA-N
MW386.52 g/mol
LogP3.41
Rot. Bonds6

About N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 99786618) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID99786618
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C20H26N4O2S/c1-4-17-14(2)9-11-24(17)19(26)15-5-7-16(8-6-15)22-18(25)13-27-20-21-10-12-23(20)3/h5-8,10,12,14,17H,4,9,11,13H2,1-3H3,(H,22,25)/t14-,17-/m0/s1
InChIKeyUXCXMDKJUWWCIY-YOEHRIQHSA-N
XLogP3.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide 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-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40723527
N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 24504496
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]acetamide
CID 24685093
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 17447356
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 129376758
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 129419863
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 670611
N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
N-[4-(diethylamino)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide;sulfuric acid
CID 18774664
N-[1-(2-bromophenyl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 24503319
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 41041775

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 99786618) is N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(NC(=O)CSc2nccn2C)cc1.
What is the InChIKey of N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is UXCXMDKJUWWCIY-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-17-14(2)9-11-24(17)19(26)15-5-7-16(8-6-15)22-18(25)13-27-20-21-10-12-23(20)3/h5-8,10,12,14,17H,4,9,11,13H2,1-3H3,(H,22,25)/t14-,17-/m0/s1.
What are the key properties of N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 386.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 99786618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).