N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide

C14H15ClN2O3S2 — CID 15997579

IUPACN-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3S2/c15-12-5-3-11(4-6-12)10-16-13(18)7-8-17-22(19,20)14-2-1-9-21-14/h1-6,9,17H,7-8,10H2,(H,16,18)
InChIKeyCMSISMQTERTKKG-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.39
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 15997579) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID15997579
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3S2/c15-12-5-3-11(4-6-12)10-16-13(18)7-8-17-22(19,20)14-2-1-9-21-14/h1-6,9,17H,7-8,10H2,(H,16,18)
InChIKeyCMSISMQTERTKKG-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065279
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
3-methyl-4-[3-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 81065023
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide (CID 15997579) is N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is CMSISMQTERTKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c15-12-5-3-11(4-6-12)10-16-13(18)7-8-17-22(19,20)14-2-1-9-21-14/h1-6,9,17H,7-8,10H2,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 358.87 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 15997579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).