N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide

C16H18N2O2S — CID 113053992

IUPACN-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-13(19)18(12-14-6-3-2-4-7-14)10-9-17-16(20)15-8-5-11-21-15/h2-8,11H,9-10,12H2,1H3,(H,17,20)
InChIKeyDSTXZQGHFRMGKY-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide

N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 113053992) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID113053992
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-13(19)18(12-14-6-3-2-4-7-14)10-9-17-16(20)15-8-5-11-21-15/h2-8,11H,9-10,12H2,1H3,(H,17,20)
InChIKeyDSTXZQGHFRMGKY-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
CID 113058294
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
CID 113063780
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-benzylthiophene-2-carboxamide
CID 574227

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide (CID 113053992) is N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide is CC(=O)N(CCNC(=O)c1cccs1)Cc1ccccc1.
What is the InChIKey of N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is DSTXZQGHFRMGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-13(19)18(12-14-6-3-2-4-7-14)10-9-17-16(20)15-8-5-11-21-15/h2-8,11H,9-10,12H2,1H3,(H,17,20).
What are the key properties of N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide?
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113053992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).