N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide

C20H19N3O2S — CID 13096888

IUPACN-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide
SMILESCN1c2ccccc2C(c2cccs2)=NCC1CNC(=O)c1ccco1
InChIInChI=1S/C20H19N3O2S/c1-23-14(13-22-20(24)17-8-4-10-25-17)12-21-19(18-9-5-11-26-18)15-6-2-3-7-16(15)23/h2-11,14H,12-13H2,1H3,(H,22,24)
InChIKeyVBHKQLGTMGDRSC-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.43
Rot. Bonds4

About N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide

N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide (PubChem CID 13096888) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide
PubChem CID13096888
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide
SMILESCN1c2ccccc2C(c2cccs2)=NCC1CNC(=O)c1ccco1
InChIInChI=1S/C20H19N3O2S/c1-23-14(13-22-20(24)17-8-4-10-25-17)12-21-19(18-9-5-11-26-18)15-6-2-3-7-16(15)23/h2-11,14H,12-13H2,1H3,(H,22,24)
InChIKeyVBHKQLGTMGDRSC-UHFFFAOYSA-N
XLogP3.43
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide (CID 13096888) is N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide is CN1c2ccccc2C(c2cccs2)=NCC1CNC(=O)c1ccco1.
What is the InChIKey of N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide?
The InChIKey is VBHKQLGTMGDRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-23-14(13-22-20(24)17-8-4-10-25-17)12-21-19(18-9-5-11-26-18)15-6-2-3-7-16(15)23/h2-11,14H,12-13H2,1H3,(H,22,24).
What are the key properties of N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide?
N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-thiophen-2-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 13096888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).