N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide

C17H19N3O4S2 — CID 41332251

IUPACN-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H19N3O4S2/c1-12-10-15(21)18-13-6-3-4-7-14(13)20(12)16(22)11-19(2)26(23,24)17-8-5-9-25-17/h3-9,12H,10-11H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyWFDKMVPZJYVHIQ-GFCCVEGCSA-N
MW393.49 g/mol
LogP2.13
Rot. Bonds4

About N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide

N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 41332251) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID41332251
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H19N3O4S2/c1-12-10-15(21)18-13-6-3-4-7-14(13)20(12)16(22)11-19(2)26(23,24)17-8-5-9-25-17/h3-9,12H,10-11H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyWFDKMVPZJYVHIQ-GFCCVEGCSA-N
XLogP2.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide
CID 55689415
4-methoxy-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-2-nitrobenzenesulfonamide
CID 55511712
N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 42281324
5-[2-[2-hydroxyethyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 56809358
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]ethanesulfonamide
CID 30808078
(2S)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]-2-phenylacetamide
CID 51889190
4-iodo-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]benzamide
CID 42281330
(4S)-5-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8539604
5-[2-[(3-bromophenyl)methyl-methylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 42927843
1-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 25362620
4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 154736410
N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 41271881

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide (CID 41332251) is N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide is C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is WFDKMVPZJYVHIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-12-10-15(21)18-13-6-3-4-7-14(13)20(12)16(22)11-19(2)26(23,24)17-8-5-9-25-17/h3-9,12H,10-11H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 41332251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).