N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide

C16H17ClN2O3S2 — CID 9302371

IUPACN-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-3-10-19(11-14-6-9-16(17)23-14)24(21,22)15-7-4-13(5-8-15)18-12(2)20/h3-9H,1,10-11H2,2H3,(H,18,20)
InChIKeyASLKKGSLVDWYJK-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.74
Rot. Bonds7

About N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide

N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide (PubChem CID 9302371) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
PubChem CID9302371
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC NameN-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-3-10-19(11-14-6-9-16(17)23-14)24(21,22)15-7-4-13(5-8-15)18-12(2)20/h3-9H,1,10-11H2,2H3,(H,18,20)
InChIKeyASLKKGSLVDWYJK-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 7687450
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrimidine-5-sulfonamide
CID 61052598
1-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55434537
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
(2S)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-phenylpropanamide
CID 8773794
4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 4778328
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
CID 17433895
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide (CID 9302371) is N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide is C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
The InChIKey is ASLKKGSLVDWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-3-10-19(11-14-6-9-16(17)23-14)24(21,22)15-7-4-13(5-8-15)18-12(2)20/h3-9H,1,10-11H2,2H3,(H,18,20).
What are the key properties of N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide has a molecular weight of 384.91 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 9302371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).