N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide

C22H19N3O4S — CID 55972154

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2ccccc2C(=O)c2cccs2)cc1
InChIInChI=1S/C22H19N3O4S/c23-19(26)13-25-21(28)15-9-7-14(8-10-15)12-24-22(29)17-5-2-1-4-16(17)20(27)18-6-3-11-30-18/h1-11H,12-13H2,(H2,23,26)(H,24,29)(H,25,28)
InChIKeyPBQNFQBVEVAKSI-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.12
Rot. Bonds8

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 55972154) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID55972154
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2ccccc2C(=O)c2cccs2)cc1
InChIInChI=1S/C22H19N3O4S/c23-19(26)13-25-21(28)15-9-7-14(8-10-15)12-24-22(29)17-5-2-1-4-16(17)20(27)18-6-3-11-30-18/h1-11H,12-13H2,(H2,23,26)(H,24,29)(H,25,28)
InChIKeyPBQNFQBVEVAKSI-UHFFFAOYSA-N
XLogP2.12
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366
2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 39948631
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55962347
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-benzylthiophene-2-carboxamide
CID 574227
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55367076
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide (CID 55972154) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccccc2C(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is PBQNFQBVEVAKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c23-19(26)13-25-21(28)15-9-7-14(8-10-15)12-24-22(29)17-5-2-1-4-16(17)20(27)18-6-3-11-30-18/h1-11H,12-13H2,(H2,23,26)(H,24,29)(H,25,28).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 421.48 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 55972154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).