(2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide

C21H24N4O2S — CID 7224643

IUPAC(2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](Sc1nc2ccccc2n1CC(C)C)c1ccccc1
InChIInChI=1S/C21H24N4O2S/c1-14(2)13-25-17-12-8-7-11-16(17)23-21(25)28-18(15-9-5-4-6-10-15)19(26)24-20(27)22-3/h4-12,14,18H,13H2,1-3H3,(H2,22,24,26,27)/t18-/m1/s1
InChIKeyHJGJLSWVUUWYRM-GOSISDBHSA-N
MW396.52 g/mol
LogP3.98
Rot. Bonds6

About (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide

(2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide (PubChem CID 7224643) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide
PubChem CID7224643
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name(2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](Sc1nc2ccccc2n1CC(C)C)c1ccccc1
InChIInChI=1S/C21H24N4O2S/c1-14(2)13-25-17-12-8-7-11-16(17)23-21(25)28-18(15-9-5-4-6-10-15)19(26)24-20(27)22-3/h4-12,14,18H,13H2,1-3H3,(H2,22,24,26,27)/t18-/m1/s1
InChIKeyHJGJLSWVUUWYRM-GOSISDBHSA-N
XLogP3.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide 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

(2S)-N-(methylcarbamoyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 9329945
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7246705
N-cyclopropyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46825180
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 55429806
(2R)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7989170
dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
CID 9374175
2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 4857354
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
N-(methylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 4828262
(2R)-2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675016
2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione
CID 7224549

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide (CID 7224643) is (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide is CNC(=O)NC(=O)[C@H](Sc1nc2ccccc2n1CC(C)C)c1ccccc1.
What is the InChIKey of (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide?
The InChIKey is HJGJLSWVUUWYRM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14(2)13-25-17-12-8-7-11-16(17)23-21(25)28-18(15-9-5-4-6-10-15)19(26)24-20(27)22-3/h4-12,14,18H,13H2,1-3H3,(H2,22,24,26,27)/t18-/m1/s1.
What are the key properties of (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide?
(2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide has a molecular weight of 396.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(methylcarbamoyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 7224643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).