2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

C22H30ClN3O3S2 — CID 5086380

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)C(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C22H30ClN3O3S2/c1-4-26(5-2)31(28,29)17-10-11-19(23)18(15-17)22(27)24-16(3)21(20-9-8-14-30-20)25-12-6-7-13-25/h8-11,14-16,21H,4-7,12-13H2,1-3H3,(H,24,27)
InChIKeyPHFJYWOZRXOMNY-UHFFFAOYSA-N
MW484.09 g/mol
LogP4.39
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 5086380) has the molecular formula C22H30ClN3O3S2 and a molecular weight of 484.09 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID5086380
Molecular FormulaC22H30ClN3O3S2
Molecular Weight484.09 g/mol
Exact Mass483.14
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)C(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C22H30ClN3O3S2/c1-4-26(5-2)31(28,29)17-10-11-19(23)18(15-17)22(27)24-16(3)21(20-9-8-14-30-20)25-12-6-7-13-25/h8-11,14-16,21H,4-7,12-13H2,1-3H3,(H,24,27)
InChIKeyPHFJYWOZRXOMNY-UHFFFAOYSA-N
XLogP4.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.09
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
4-({benzyl[(4-chlorophenyl)sulfonyl]amino}methyl)-N-(2-thienylmethyl)benzamide
CID 46891078
3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 662244
2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
CID 2551480
4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675193
Mth antagonist 65-A11
CID 2811064
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
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 6363634
3-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 18574881
N-ethyl-3-(methylsulfamoyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 24981202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (CID 5086380) is 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)C(c2cccs2)N2CCCC2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is PHFJYWOZRXOMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3S2/c1-4-26(5-2)31(28,29)17-10-11-19(23)18(15-17)22(27)24-16(3)21(20-9-8-14-30-20)25-12-6-7-13-25/h8-11,14-16,21H,4-7,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 484.09 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 5086380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).