N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

C20H26N2O3S — CID 3143546

IUPACN-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-8-11-18(12-9-15)26(24,25)22(4)13-5-6-20(23)21-19-14-16(2)7-10-17(19)3/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyBPDSRYNRVBFFCK-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.65
Rot. Bonds7

About N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 3143546) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
PubChem CID3143546
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-8-11-18(12-9-15)26(24,25)22(4)13-5-6-20(23)21-19-14-16(2)7-10-17(19)3/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyBPDSRYNRVBFFCK-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (CID 3143546) is N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is BPDSRYNRVBFFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-8-11-18(12-9-15)26(24,25)22(4)13-5-6-20(23)21-19-14-16(2)7-10-17(19)3/h7-12,14H,5-6,13H2,1-4H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 374.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 3143546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).