N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide

C30H28N2O2S2 — CID 43980967

IUPACN-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(SC)cc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C30H28N2O2S2/c1-19-17-23(9-15-27(19)31-29(33)21-5-11-25(35-3)12-6-21)24-10-16-28(20(2)18-24)32-30(34)22-7-13-26(36-4)14-8-22/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyKHWOGFUDLOTLGV-UHFFFAOYSA-N
MW512.70 g/mol
LogP7.92
Rot. Bonds7

About N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide

N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide (PubChem CID 43980967) has the molecular formula C30H28N2O2S2 and a molecular weight of 512.70 g/mol. Its IUPAC name is N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
PubChem CID43980967
Molecular FormulaC30H28N2O2S2
Molecular Weight512.70 g/mol
Exact Mass512.16
IUPAC NameN-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(SC)cc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C30H28N2O2S2/c1-19-17-23(9-15-27(19)31-29(33)21-5-11-25(35-3)12-6-21)24-10-16-28(20(2)18-24)32-30(34)22-7-13-26(36-4)14-8-22/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyKHWOGFUDLOTLGV-UHFFFAOYSA-N
XLogP7.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
CID 3343453
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
CID 79766642
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dinitrobenzamide
CID 3882039
4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide
CID 63209394
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide (CID 43980967) is N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(SC)cc4)c(C)c3)cc2C)cc1.
What is the InChIKey of N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide?
The InChIKey is KHWOGFUDLOTLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2S2/c1-19-17-23(9-15-27(19)31-29(33)21-5-11-25(35-3)12-6-21)24-10-16-28(20(2)18-24)32-30(34)22-7-13-26(36-4)14-8-22/h5-18H,1-4H3,(H,31,33)(H,32,34).
What are the key properties of N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide?
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide has a molecular weight of 512.70 g/mol, XLogP of 7.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 43980967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).