2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

C14H18N4O2S — CID 7756214

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N4O2S/c1-3-9(2)15-13(20)18-12(19)8-21-14-16-10-6-4-5-7-11(10)17-14/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,15,18,19,20)/t9-/m0/s1
InChIKeyKTHUIXBFGCSTFJ-VIFPVBQESA-N
MW306.39 g/mol
LogP2.28
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (PubChem CID 7756214) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
PubChem CID7756214
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N4O2S/c1-3-9(2)15-13(20)18-12(19)8-21-14-16-10-6-4-5-7-11(10)17-14/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,15,18,19,20)/t9-/m0/s1
InChIKeyKTHUIXBFGCSTFJ-VIFPVBQESA-N
XLogP2.28
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide with MolForge

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Related Compounds

N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 7624764
N-[(2S)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522885
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756631
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7755957
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2650215
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7756256
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7755963
2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18191831
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2650911
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 742081

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (CID 7756214) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide is CC[C@H](C)NC(=O)NC(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The InChIKey is KTHUIXBFGCSTFJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-9(2)15-13(20)18-12(19)8-21-14-16-10-6-4-5-7-11(10)17-14/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,15,18,19,20)/t9-/m0/s1.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide is sourced from PubChem (CID 7756214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).