4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide

C22H30N2O5S — CID 119037028

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(CO)CC(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O5S/c1-4-29-20-9-11-21(12-10-20)30(27,28)24-19-7-5-18(6-8-19)22(26)23-14-17(15-25)13-16(2)3/h5-12,16-17,24-25H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyZXHWECQOGOZEBQ-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.27
Rot. Bonds11

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide (PubChem CID 119037028) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide
PubChem CID119037028
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(CO)CC(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O5S/c1-4-29-20-9-11-21(12-10-20)30(27,28)24-19-7-5-18(6-8-19)22(26)23-14-17(15-25)13-16(2)3/h5-12,16-17,24-25H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyZXHWECQOGOZEBQ-UHFFFAOYSA-N
XLogP3.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30874214
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide (CID 119037028) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(CO)CC(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide?
The InChIKey is ZXHWECQOGOZEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-4-29-20-9-11-21(12-10-20)30(27,28)24-19-7-5-18(6-8-19)22(26)23-14-17(15-25)13-16(2)3/h5-12,16-17,24-25H,4,13-15H2,1-3H3,(H,23,26).
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide has a molecular weight of 434.56 g/mol, XLogP of 3.27, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 119037028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).