2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide

C16H18ClN3O2S — CID 55432559

IUPAC2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2S/c1-10(20(2)9-11-3-5-12(17)6-4-11)15(22)19-16-13(14(18)21)7-8-23-16/h3-8,10H,9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyDGEYVAKLFKAFHT-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.96
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide

2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide (PubChem CID 55432559) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide
PubChem CID55432559
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2S/c1-10(20(2)9-11-3-5-12(17)6-4-11)15(22)19-16-13(14(18)21)7-8-23-16/h3-8,10H,9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyDGEYVAKLFKAFHT-UHFFFAOYSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
CID 47287881
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide
CID 135959612
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 26767677
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 55423548
2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide
CID 4787365
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide (CID 55432559) is 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide is CC(C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide?
The InChIKey is DGEYVAKLFKAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-10(20(2)9-11-3-5-12(17)6-4-11)15(22)19-16-13(14(18)21)7-8-23-16/h3-8,10H,9H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide?
2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 55432559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).