N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

C18H22N2O3S — CID 4273233

IUPACN-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-3-7-16(8-4-14)13-19-18(21)11-12-20-24(22,23)17-9-5-15(2)6-10-17/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeySBFCDTHSNJAHGN-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.29
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 4273233) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID4273233
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-3-7-16(8-4-14)13-19-18(21)11-12-20-24(22,23)17-9-5-15(2)6-10-17/h3-10,20H,11-13H2,1-2H3,(H,19,21)
InChIKeySBFCDTHSNJAHGN-UHFFFAOYSA-N
XLogP2.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-benzyl-4-sulfamoylbenzamide
CID 4347
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfonamide
CID 990581
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 669716
Sulfonamide deriv., 7c
CID 3433937
N-Butyl 4-sulfamylbenzamide
CID 10355056

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 4273233) is N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is SBFCDTHSNJAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-3-7-16(8-4-14)13-19-18(21)11-12-20-24(22,23)17-9-5-15(2)6-10-17/h3-10,20H,11-13H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4273233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).