3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide

C14H15ClN2O3S2 — CID 55694010

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccsc1
InChIInChI=1S/C14H15ClN2O3S2/c15-12-3-1-2-4-13(12)22(19,20)17-7-5-14(18)16-9-11-6-8-21-10-11/h1-4,6,8,10,17H,5,7,9H2,(H,16,18)
InChIKeyXCUUDFCXTWEOAK-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.39
Rot. Bonds7

About 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 55694010) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
PubChem CID55694010
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccsc1
InChIInChI=1S/C14H15ClN2O3S2/c15-12-3-1-2-4-13(12)22(19,20)17-7-5-14(18)16-9-11-6-8-21-10-11/h1-4,6,8,10,17H,5,7,9H2,(H,16,18)
InChIKeyXCUUDFCXTWEOAK-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

3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 55858772
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55635678
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
CID 55947108
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 39302121
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55350760
3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55638530
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide (CID 55694010) is 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide is O=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccsc1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is XCUUDFCXTWEOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c15-12-3-1-2-4-13(12)22(19,20)17-7-5-14(18)16-9-11-6-8-21-10-11/h1-4,6,8,10,17H,5,7,9H2,(H,16,18).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)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 3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 55694010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).