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

C27H25N5O3S — CID 41271881

IUPACN-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
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C27H25N5O3S/c1-18-15-25(33)28-20-11-6-7-12-22(20)31(18)26(34)17-30(2)27(35)23-16-21(24-13-8-14-36-24)29-32(23)19-9-4-3-5-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,28,33)/t18-/m1/s1
InChIKeyVDMVWHBXKYYQOI-GOSISDBHSA-N
MW499.60 g/mol
LogP4.44
Rot. Bonds5

About 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

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 (PubChem CID 41271881) has the molecular formula C27H25N5O3S and a molecular weight of 499.60 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]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-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
PubChem CID41271881
Molecular FormulaC27H25N5O3S
Molecular Weight499.60 g/mol
Exact Mass499.17
IUPAC NameN-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
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C27H25N5O3S/c1-18-15-25(33)28-20-11-6-7-12-22(20)31(18)26(34)17-30(2)27(35)23-16-21(24-13-8-14-36-24)29-32(23)19-9-4-3-5-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,28,33)/t18-/m1/s1
InChIKeyVDMVWHBXKYYQOI-GOSISDBHSA-N
XLogP4.44
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
N,3-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzamide
CID 42927689
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
3-chloro-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]benzamide
CID 40856134
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
N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide
CID 42927673
N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-4-nitrobenzamide
CID 42927668
5-[2-[2-hydroxyethyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 56809358
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 27740069
(2S,4S)-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 120631889
2-(4-cyanophenoxy)-N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]acetamide
CID 42281347
N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-4-propoxybenzamide
CID 42281317

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]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 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) is 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.
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]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 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 is C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
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]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is VDMVWHBXKYYQOI-GOSISDBHSA-N. The full InChI is InChI=1S/C27H25N5O3S/c1-18-15-25(33)28-20-11-6-7-12-22(20)31(18)26(34)17-30(2)27(35)23-16-21(24-13-8-14-36-24)29-32(23)19-9-4-3-5-10-19/h3-14,16,18H,15,17H2,1-2H3,(H,28,33)/t18-/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]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
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 has a molecular weight of 499.60 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 41271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).