3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide

C22H27N3O5S — CID 30860784

IUPAC3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H27N3O5S/c1-25(2)21(26)15-30-19-12-10-17(11-13-19)23-22(27)16-6-5-9-20(14-16)31(28,29)24-18-7-3-4-8-18/h5-6,9-14,18,24H,3-4,7-8,15H2,1-2H3,(H,23,27)
InChIKeyLXAAYVLUVBNVBC-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.63
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide

3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 30860784) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
PubChem CID30860784
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H27N3O5S/c1-25(2)21(26)15-30-19-12-10-17(11-13-19)23-22(27)16-6-5-9-20(14-16)31(28,29)24-18-7-3-4-8-18/h5-6,9-14,18,24H,3-4,7-8,15H2,1-2H3,(H,23,27)
InChIKeyLXAAYVLUVBNVBC-UHFFFAOYSA-N
XLogP2.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 30860581
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 30860583
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
S-[4-[[3-(cyclopropylsulfamoyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529932
3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
CID 46477179
methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate
CID 55871864
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide (CID 30860784) is 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide is CN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is LXAAYVLUVBNVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-25(2)21(26)15-30-19-12-10-17(11-13-19)23-22(27)16-6-5-9-20(14-16)31(28,29)24-18-7-3-4-8-18/h5-6,9-14,18,24H,3-4,7-8,15H2,1-2H3,(H,23,27).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 30860784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).