N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide

C19H22N2O4S — CID 46573470

IUPACN-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCCO1
InChIInChI=1S/C19H22N2O4S/c1-14(18-8-5-13-25-18)20-19(22)15-9-11-17(12-10-15)26(23,24)21-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18,21H,5,8,13H2,1H3,(H,20,22)
InChIKeyOPECOLOZQREUOO-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.78
Rot. Bonds6

About N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide

N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 46573470) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide
PubChem CID46573470
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCCO1
InChIInChI=1S/C19H22N2O4S/c1-14(18-8-5-13-25-18)20-19(22)15-9-11-17(12-10-15)26(23,24)21-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18,21H,5,8,13H2,1H3,(H,20,22)
InChIKeyOPECOLOZQREUOO-UHFFFAOYSA-N
XLogP2.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 75871245
4-[(2-methoxyphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43062290
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2-anilino-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 42955770
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide (CID 46573470) is N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide is CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is OPECOLOZQREUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(18-8-5-13-25-18)20-19(22)15-9-11-17(12-10-15)26(23,24)21-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18,21H,5,8,13H2,1H3,(H,20,22).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide?
N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 46573470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).