N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide

C23H22ClN3OS — CID 73352661

IUPACN-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide
SMILESCN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1
InChIInChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyJEZGMXQLYTYHBX-GOSISDBHSA-N
MW423.97 g/mol
LogP4.88
Rot. Bonds5

About N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 73352661) has the molecular formula C23H22ClN3OS and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID73352661
Molecular FormulaC23H22ClN3OS
Molecular Weight423.97 g/mol
Exact Mass423.12
IUPAC NameN-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide
SMILESCN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1
InChIInChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyJEZGMXQLYTYHBX-GOSISDBHSA-N
XLogP4.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
CID 10718445
2-[7-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]acetamide
CID 3086937
2-(2-chlorophenyl)-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]acetamide
CID 13071890
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
1-acetyl-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570847
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;N,N-dimethylacetamide
CID 70378031
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
2-(7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetamide
CID 3054334
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide
CID 13096888

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide (CID 73352661) is N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide is CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is JEZGMXQLYTYHBX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 423.97 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 73352661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).