N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

C15H13ClN2O3S2 — CID 90554233

IUPACN-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H13ClN2O3S2/c1-11(19)18-13-6-4-12(5-7-13)3-2-10-17-23(20,21)15-9-8-14(16)22-15/h4-9,17H,10H2,1H3,(H,18,19)
InChIKeyNRXFBEFVIHJNBW-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.69
Rot. Bonds4

About N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (PubChem CID 90554233) has the molecular formula C15H13ClN2O3S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
PubChem CID90554233
Molecular FormulaC15H13ClN2O3S2
Molecular Weight368.87 g/mol
Exact Mass368.01
IUPAC NameN-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H13ClN2O3S2/c1-11(19)18-13-6-4-12(5-7-13)3-2-10-17-23(20,21)15-9-8-14(16)22-15/h4-9,17H,10H2,1H3,(H,18,19)
InChIKeyNRXFBEFVIHJNBW-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554254
N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554264
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087
4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554249
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-5-ethylthiophene-2-sulfonamide
CID 90554362
2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239780
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (CID 90554233) is N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is CC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The InChIKey is NRXFBEFVIHJNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S2/c1-11(19)18-13-6-4-12(5-7-13)3-2-10-17-23(20,21)15-9-8-14(16)22-15/h4-9,17H,10H2,1H3,(H,18,19).
What are the key properties of N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide has a molecular weight of 368.87 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 90554233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).