4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide

C18H22ClN3O3S2 — CID 2738505

IUPAC4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NCCN2CCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S2/c19-15-5-3-14(4-6-15)18(23)20-13-16-7-8-17(26-16)27(24,25)21-9-12-22-10-1-2-11-22/h3-8,21H,1-2,9-13H2,(H,20,23)
InChIKeyUZPCHQTXULKJBZ-UHFFFAOYSA-N
MW427.98 g/mol
LogP2.71
Rot. Bonds8

About 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide (PubChem CID 2738505) has the molecular formula C18H22ClN3O3S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide
PubChem CID2738505
Molecular FormulaC18H22ClN3O3S2
Molecular Weight427.98 g/mol
Exact Mass427.08
IUPAC Name4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NCCN2CCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S2/c19-15-5-3-14(4-6-15)18(23)20-13-16-7-8-17(26-16)27(24,25)21-9-12-22-10-1-2-11-22/h3-8,21H,1-2,9-13H2,(H,20,23)
InChIKeyUZPCHQTXULKJBZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
[3-[[5-[[(4-Chlorobenzoyl)amino]methyl]thiophen-2-yl]sulfonylamino]phenyl]boronic acid
CID 52940004
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
4-({benzyl[(4-chlorophenyl)sulfonyl]amino}methyl)-N-(2-thienylmethyl)benzamide
CID 46891078
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 662244
4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675193
N-({5-[(cyclohexylamino)sulfonyl]-2-thienyl}methyl)benzamide
CID 2823724
4-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(2-thienylmethyl)benzamide
CID 2944957
2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4879880
3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5105832
N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide (CID 2738505) is 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)NCCN2CCCC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is UZPCHQTXULKJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S2/c19-15-5-3-14(4-6-15)18(23)20-13-16-7-8-17(26-16)27(24,25)21-9-12-22-10-1-2-11-22/h3-8,21H,1-2,9-13H2,(H,20,23).
What are the key properties of 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 427.98 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(2-pyrrolidin-1-ylethylsulfamoyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 2738505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).