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

C24H31N3O6S — CID 46477179

IUPAC3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C24H31N3O6S/c1-27(2)23(28)16-33-21-12-11-17(13-22(21)32-3)15-25-24(29)18-7-6-10-20(14-18)34(30,31)26-19-8-4-5-9-19/h6-7,10-14,19,26H,4-5,8-9,15-16H2,1-3H3,(H,25,29)
InChIKeyBGUVEVXOZQRNQN-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.31
Rot. Bonds10

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

3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide (PubChem CID 46477179) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
PubChem CID46477179
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C24H31N3O6S/c1-27(2)23(28)16-33-21-12-11-17(13-22(21)32-3)15-25-24(29)18-7-6-10-20(14-18)34(30,31)26-19-8-4-5-9-19/h6-7,10-14,19,26H,4-5,8-9,15-16H2,1-3H3,(H,25,29)
InChIKeyBGUVEVXOZQRNQN-UHFFFAOYSA-N
XLogP2.31
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46477327
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 30860784
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 46466672
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide (CID 46477179) is 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide is COc1cc(CNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)ccc1OCC(=O)N(C)C.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
The InChIKey is BGUVEVXOZQRNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-27(2)23(28)16-33-21-12-11-17(13-22(21)32-3)15-25-24(29)18-7-6-10-20(14-18)34(30,31)26-19-8-4-5-9-19/h6-7,10-14,19,26H,4-5,8-9,15-16H2,1-3H3,(H,25,29).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide?
3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide has a molecular weight of 489.59 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide is sourced from PubChem (CID 46477179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).