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

C24H25N3OS — CID 11090735

IUPACN-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1
InChIInChI=1S/C24H25N3OS/c1-26(24(28)22-13-8-16-29-22)15-14-19-17-25-23(18-9-4-3-5-10-18)20-11-6-7-12-21(20)27(19)2/h3-13,16,19H,14-15,17H2,1-2H3
InChIKeyCKGHAUDWGMFVJT-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.57
Rot. Bonds5

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

N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 11090735) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID11090735
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1
InChIInChI=1S/C24H25N3OS/c1-26(24(28)22-13-8-16-29-22)15-14-19-17-25-23(18-9-4-3-5-10-18)20-11-6-7-12-21(20)27(19)2/h3-13,16,19H,14-15,17H2,1-2H3
InChIKeyCKGHAUDWGMFVJT-UHFFFAOYSA-N
XLogP4.57
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide (CID 11090735) is N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide is CN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CKGHAUDWGMFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-26(24(28)22-13-8-16-29-22)15-14-19-17-25-23(18-9-4-3-5-10-18)20-11-6-7-12-21(20)27(19)2/h3-13,16,19H,14-15,17H2,1-2H3.
What are the key properties of N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide?
N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).