N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide

C16H17N3O3S — CID 18154158

IUPACN-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)19-13-6-4-12(5-7-13)9-17-15(21)10-18-16(22)14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyMDEQDXGGHBCQEP-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18154158) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18154158
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)19-13-6-4-12(5-7-13)9-17-15(21)10-18-16(22)14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyMDEQDXGGHBCQEP-UHFFFAOYSA-N
XLogP1.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
tert-butyl N-[3-oxo-3-[[4-(thiophene-2-carbonylamino)phenyl]methylamino]propyl]carbamate
CID 108920560
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 18273574
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 18154158) is N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(CNC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MDEQDXGGHBCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(20)19-13-6-4-12(5-7-13)9-17-15(21)10-18-16(22)14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18154158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).