3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide

C22H30N2O3S — CID 55710404

IUPAC3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCCc2ccccc2)ccc1C
InChIInChI=1S/C22H30N2O3S/c1-5-24(6-2)28(26,27)21-17-20(15-14-18(21)3)22(25)23(4)16-10-13-19-11-8-7-9-12-19/h7-9,11-12,14-15,17H,5-6,10,13,16H2,1-4H3
InChIKeyPAXMUVPAKNVGHG-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.73
Rot. Bonds9

About 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide

3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide (PubChem CID 55710404) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
PubChem CID55710404
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCCc2ccccc2)ccc1C
InChIInChI=1S/C22H30N2O3S/c1-5-24(6-2)28(26,27)21-17-20(15-14-18(21)3)22(25)23(4)16-10-13-19-11-8-7-9-12-19/h7-9,11-12,14-15,17H,5-6,10,13,16H2,1-4H3
InChIKeyPAXMUVPAKNVGHG-UHFFFAOYSA-N
XLogP3.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814051
3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N,N-diethylacetamide
CID 100782521
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
2-methyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371307

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide (CID 55710404) is 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCCc2ccccc2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide?
The InChIKey is PAXMUVPAKNVGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-5-24(6-2)28(26,27)21-17-20(15-14-18(21)3)22(25)23(4)16-10-13-19-11-8-7-9-12-19/h7-9,11-12,14-15,17H,5-6,10,13,16H2,1-4H3.
What are the key properties of 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide?
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide has a molecular weight of 402.56 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 55710404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).