N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

C15H21N3OS — CID 7171399

IUPACN-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1nc2ccccc2n1CC
InChIInChI=1S/C15H21N3OS/c1-4-11(3)16-14(19)10-20-15-17-12-8-6-7-9-13(12)18(15)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyMVWQWKKMARRZOW-NSHDSACASA-N
MW291.42 g/mol
LogP3.06
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 7171399) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID7171399
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1nc2ccccc2n1CC
InChIInChI=1S/C15H21N3OS/c1-4-11(3)16-14(19)10-20-15-17-12-8-6-7-9-13(12)18(15)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyMVWQWKKMARRZOW-NSHDSACASA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
N-[(2S)-butan-2-yl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 92889336
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594664
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
N-[(2S)-butan-2-yl]-2-[3-[2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 98274736
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60554948
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673730
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (CID 7171399) is N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is CC[C@H](C)NC(=O)CSc1nc2ccccc2n1CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is MVWQWKKMARRZOW-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-11(3)16-14(19)10-20-15-17-12-8-6-7-9-13(12)18(15)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 291.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 7171399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).