N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

C28H34N2O4S — CID 133186498

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1C(C)C
InChIInChI=1S/C28H34N2O4S/c1-17(2)24-16-25(19(4)15-27(24)34-7)21(6)29-28(31)22-10-13-26(20(5)14-22)30-35(32,33)23-11-8-18(3)9-12-23/h8-17,21,30H,1-7H3,(H,29,31)
InChIKeyKRDSVMKCFDXANF-UHFFFAOYSA-N
MW494.66 g/mol
LogP6.04
Rot. Bonds8

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 133186498) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID133186498
Molecular FormulaC28H34N2O4S
Molecular Weight494.66 g/mol
Exact Mass494.22
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1C(C)C
InChIInChI=1S/C28H34N2O4S/c1-17(2)24-16-25(19(4)15-27(24)34-7)21(6)29-28(31)22-10-13-26(20(5)14-22)30-35(32,33)23-11-8-18(3)9-12-23/h8-17,21,30H,1-7H3,(H,29,31)
InChIKeyKRDSVMKCFDXANF-UHFFFAOYSA-N
XLogP6.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186488
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671799
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
CID 99842338
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 133186498) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is COc1cc(C)c(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is KRDSVMKCFDXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-17(2)24-16-25(19(4)15-27(24)34-7)21(6)29-28(31)22-10-13-26(20(5)14-22)30-35(32,33)23-11-8-18(3)9-12-23/h8-17,21,30H,1-7H3,(H,29,31).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 494.66 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 133186498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).