N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide

C20H26N2O3S — CID 134054323

IUPACN-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(2)21-26(24,25)19-12-10-18(11-13-19)20(23)22(5)16(4)17-8-6-15(3)7-9-17/h6-14,16,21H,1-5H3
InChIKeyUVVVWAOKBPJKSO-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide

N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 134054323) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID134054323
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(2)21-26(24,25)19-12-10-18(11-13-19)20(23)22(5)16(4)17-8-6-15(3)7-9-17/h6-14,16,21H,1-5H3
InChIKeyUVVVWAOKBPJKSO-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 55561483
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
CID 60571008
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 134003986

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 134054323) is N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide is Cc1ccc(C(C)N(C)C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is UVVVWAOKBPJKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)21-26(24,25)19-12-10-18(11-13-19)20(23)22(5)16(4)17-8-6-15(3)7-9-17/h6-14,16,21H,1-5H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 134054323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).