3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide

C15H16ClN3O2S — CID 82034683

IUPAC3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(NC(=O)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C15H16ClN3O2S/c16-12-8-10(18-14(20)5-6-17)3-4-13(12)19-15(21)9-11-2-1-7-22-11/h1-4,7-8H,5-6,9,17H2,(H,18,20)(H,19,21)
InChIKeyGAWBTXYLYNIRJA-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.87
Rot. Bonds6

About 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide

3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide (PubChem CID 82034683) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
PubChem CID82034683
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(NC(=O)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C15H16ClN3O2S/c16-12-8-10(18-14(20)5-6-17)3-4-13(12)19-15(21)9-11-2-1-7-22-11/h1-4,7-8H,5-6,9,17H2,(H,18,20)(H,19,21)
InChIKeyGAWBTXYLYNIRJA-UHFFFAOYSA-N
XLogP2.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 131916019
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
CID 82034454
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
N-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 62908415
4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoate
CID 6979012
5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63115689
N-[3-(2-aminoethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 28754992
N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 88672143
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide (CID 82034683) is 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide is NCCC(=O)Nc1ccc(NC(=O)Cc2cccs2)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
The InChIKey is GAWBTXYLYNIRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-12-8-10(18-14(20)5-6-17)3-4-13(12)19-15(21)9-11-2-1-7-22-11/h1-4,7-8H,5-6,9,17H2,(H,18,20)(H,19,21).
What are the key properties of 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide has a molecular weight of 337.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 82034683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).