N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide

C16H17N3O3S — CID 8819167

IUPACN-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESC[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-11(12-6-4-3-5-7-12)19(2)23(21,22)13-8-9-14-15(10-13)18-16(20)17-14/h3-11H,1-2H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyVYBNCAYCIKLYCX-NSHDSACASA-N
MW331.40 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide

N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 8819167) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID8819167
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESC[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-11(12-6-4-3-5-7-12)19(2)23(21,22)13-8-9-14-15(10-13)18-16(20)17-14/h3-11H,1-2H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyVYBNCAYCIKLYCX-NSHDSACASA-N
XLogP2.24
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110626063
N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide
CID 124948706
2-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 8815647
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110868966

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide (CID 8819167) is N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide is C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is VYBNCAYCIKLYCX-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(12-6-4-3-5-7-12)19(2)23(21,22)13-8-9-14-15(10-13)18-16(20)17-14/h3-11H,1-2H3,(H2,17,18,20)/t11-/m0/s1.
What are the key properties of N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 8819167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).