N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C16H26N4O3S — CID 7602577

IUPACN-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H26N4O3S/c1-4-20(5-2)10-6-7-12(3)19-24(22,23)13-8-9-14-15(11-13)18-16(21)17-14/h8-9,11-12,19H,4-7,10H2,1-3H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyFKFYLUPUEOQLEJ-LBPRGKRZSA-N
MW354.48 g/mol
LogP1.64
Rot. Bonds9

About N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 7602577) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID7602577
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H26N4O3S/c1-4-20(5-2)10-6-7-12(3)19-24(22,23)13-8-9-14-15(11-13)18-16(21)17-14/h8-9,11-12,19H,4-7,10H2,1-3H3,(H2,17,18,21)/t12-/m0/s1
InChIKeyFKFYLUPUEOQLEJ-LBPRGKRZSA-N
XLogP1.64
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
2-chloro-5-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]benzoic acid
CID 100820173
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402
N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034377
N-(1-methoxypropan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25045600
2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
CID 866306

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 7602577) is N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is FKFYLUPUEOQLEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-20(5-2)10-6-7-12(3)19-24(22,23)13-8-9-14-15(11-13)18-16(21)17-14/h8-9,11-12,19H,4-7,10H2,1-3H3,(H2,17,18,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7602577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).