N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide

C19H21N3O3S — CID 11566915

IUPACN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C19H21N3O3S/c1-2-3-13-26(24,25)22-18-19(23)20-16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18,22H,2-3,13H2,1H3,(H,20,23)
InChIKeyBYCRTHVOUXTCRV-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.52
Rot. Bonds6

About N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide (PubChem CID 11566915) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide
PubChem CID11566915
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C19H21N3O3S/c1-2-3-13-26(24,25)22-18-19(23)20-16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18,22H,2-3,13H2,1H3,(H,20,23)
InChIKeyBYCRTHVOUXTCRV-UHFFFAOYSA-N
XLogP2.52
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide
CID 157136703
3-[(3,5-difluoro-2-methyl-6-oxo-1H-pyridin-4-yl)amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 122634604
3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 11659534
2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 5279184
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698
(3S)-5-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407007
(3S)-5-phenyl-3-[(2,5,6-trifluoro-2-methylsulfonyl-1H-pyridin-4-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134361687
4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide
CID 142743863
2-amino-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-phenylacetamide
CID 66755771
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide
CID 14208215
benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate;hydrate
CID 22354565
3-[(2-ethoxy-3,5,6-trifluoro-4-pyridinyl)amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 122634627

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide (CID 11566915) is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide?
The InChIKey is BYCRTHVOUXTCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-3-13-26(24,25)22-18-19(23)20-16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18,22H,2-3,13H2,1H3,(H,20,23).
What are the key properties of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide?
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 11566915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).