N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide

C17H20N2O2S — CID 51188243

IUPACN-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C17H20N2O2S/c1-13(14-7-4-3-5-8-14)19(2)16(20)10-11-18-17(21)15-9-6-12-22-15/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)
InChIKeyHBKDPTMJWQVKAM-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.09
Rot. Bonds6

About N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 51188243) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID51188243
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C17H20N2O2S/c1-13(14-7-4-3-5-8-14)19(2)16(20)10-11-18-17(21)15-9-6-12-22-15/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)
InChIKeyHBKDPTMJWQVKAM-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 138004639
3-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62825794
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 75807703
N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 39948346
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539260
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38746463

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 51188243) is N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide is CC(c1ccccc1)N(C)C(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is HBKDPTMJWQVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(14-7-4-3-5-8-14)19(2)16(20)10-11-18-17(21)15-9-6-12-22-15/h3-9,12-13H,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 51188243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).