N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide

C19H23N3O5S — CID 124948706

IUPACN-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCC(C)N(C[C@@H](O)COc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H23N3O5S/c1-13(2)22(11-14(23)12-27-15-6-4-3-5-7-15)28(25,26)16-8-9-17-18(10-16)21-19(24)20-17/h3-10,13-14,23H,11-12H2,1-2H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyCOWOGAQXHCVKBR-CQSZACIVSA-N
MW405.48 g/mol
LogP1.70
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide

N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 124948706) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID124948706
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCC(C)N(C[C@@H](O)COc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H23N3O5S/c1-13(2)22(11-14(23)12-27-15-6-4-3-5-7-15)28(25,26)16-8-9-17-18(10-16)21-19(24)20-17/h3-10,13-14,23H,11-12H2,1-2H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyCOWOGAQXHCVKBR-CQSZACIVSA-N
XLogP1.70
TPSA115.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 125025761
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8819167
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
N-[(2S)-2-hydroxyoctyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]-4-methylbenzenesulfonamide
CID 101366737
2-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 8815647
(3-methoxyphenyl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate
CID 71902122
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
6-[3-[2-(benzenesulfonyl)ethyl-methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10364598
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 41244864
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
2-hydroxy-3-phenoxypropane-1-sulfonic acid
CID 10149155

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide (CID 124948706) is N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide is CC(C)N(C[C@@H](O)COc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is COWOGAQXHCVKBR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13(2)22(11-14(23)12-27-15-6-4-3-5-7-15)28(25,26)16-8-9-17-18(10-16)21-19(24)20-17/h3-10,13-14,23H,11-12H2,1-2H3,(H2,20,21,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 124948706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).