N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide

C20H23N3O5S — CID 7296813

IUPACN-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(=O)n(S(=O)(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C20H23N3O5S/c1-4-14(2)21-19(24)13-22-17-7-5-6-8-18(17)23(20(22)25)29(26,27)16-11-9-15(28-3)10-12-16/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyOTVHIQITQYTLOJ-AWEZNQCLSA-N
MW417.49 g/mol
LogP1.96
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide

N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide (PubChem CID 7296813) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide
PubChem CID7296813
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(=O)n(S(=O)(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C20H23N3O5S/c1-4-14(2)21-19(24)13-22-17-7-5-6-8-18(17)23(20(22)25)29(26,27)16-11-9-15(28-3)10-12-16/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyOTVHIQITQYTLOJ-AWEZNQCLSA-N
XLogP1.96
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
CID 42792947
1-(4-fluorophenyl)sulfonyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 42792986
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18121482
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
CID 46394229
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
2-[3-tert-butyl-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]phenyl]acetic acid
CID 90293416
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide (CID 7296813) is N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide is CC[C@H](C)NC(=O)Cn1c(=O)n(S(=O)(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide?
The InChIKey is OTVHIQITQYTLOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-4-14(2)21-19(24)13-22-17-7-5-6-8-18(17)23(20(22)25)29(26,27)16-11-9-15(28-3)10-12-16/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 7296813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).