N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C13H13ClN2O3S2 — CID 4614958

IUPACN-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S2/c14-10-3-5-11(6-4-10)16-12(17)7-8-15-21(18,19)13-2-1-9-20-13/h1-6,9,15H,7-8H2,(H,16,17)
InChIKeyPMVAHUZTDMPUIG-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.71
Rot. Bonds6

About N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 4614958) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID4614958
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC NameN-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S2/c14-10-3-5-11(6-4-10)16-12(17)7-8-15-21(18,19)13-2-1-9-20-13/h1-6,9,15H,7-8H2,(H,16,17)
InChIKeyPMVAHUZTDMPUIG-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 36749120
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 4614958) is N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is PMVAHUZTDMPUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c14-10-3-5-11(6-4-10)16-12(17)7-8-15-21(18,19)13-2-1-9-20-13/h1-6,9,15H,7-8H2,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 344.85 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 4614958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).