N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide

C22H27N3OS — CID 25412067

IUPACN-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide
SMILESCC(C)n1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3OS/c1-16(2)25-20-12-8-7-11-19(20)24-22(25)27-15-21(26)23-17(3)13-14-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyIWBBEWZOKGSDHH-KRWDZBQOSA-N
MW381.55 g/mol
LogP4.85
Rot. Bonds8

About N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide

N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 25412067) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID25412067
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide
SMILESCC(C)n1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3OS/c1-16(2)25-20-12-8-7-11-19(20)24-22(25)27-15-21(26)23-17(3)13-14-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyIWBBEWZOKGSDHH-KRWDZBQOSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92869824
1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one
CID 20770417
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747
(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4683672
2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2488351
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
2-[[5-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25361105
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 42902692

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide (CID 25412067) is N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide is CC(C)n1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is IWBBEWZOKGSDHH-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-16(2)25-20-12-8-7-11-19(20)24-22(25)27-15-21(26)23-17(3)13-14-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide?
N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 381.55 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 25412067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).