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

C30H28N2O4S2 — CID 43980864

IUPACN-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3cccc(SC)c3)c(OC)c2)ccc1NC(=O)c1cccc(SC)c1
InChIInChI=1S/C30H28N2O4S2/c1-35-27-17-19(11-13-25(27)31-29(33)21-7-5-9-23(15-21)37-3)20-12-14-26(28(18-20)36-2)32-30(34)22-8-6-10-24(16-22)38-4/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyLRQAPPDXICXZTA-UHFFFAOYSA-N
MW544.70 g/mol
LogP7.32
Rot. Bonds9

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

N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide (PubChem CID 43980864) has the molecular formula C30H28N2O4S2 and a molecular weight of 544.70 g/mol. Its IUPAC name is N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
PubChem CID43980864
Molecular FormulaC30H28N2O4S2
Molecular Weight544.70 g/mol
Exact Mass544.15
IUPAC NameN-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3cccc(SC)c3)c(OC)c2)ccc1NC(=O)c1cccc(SC)c1
InChIInChI=1S/C30H28N2O4S2/c1-35-27-17-19(11-13-25(27)31-29(33)21-7-5-9-23(15-21)37-3)20-12-14-26(28(18-20)36-2)32-30(34)22-8-6-10-24(16-22)38-4/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyLRQAPPDXICXZTA-UHFFFAOYSA-N
XLogP7.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
CID 43980865
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
N-(4-methoxy-2-nitrophenyl)-3-methylsulfanylbenzamide
CID 7565243
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide
CID 600363

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide (CID 43980864) is N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide is COc1cc(-c2ccc(NC(=O)c3cccc(SC)c3)c(OC)c2)ccc1NC(=O)c1cccc(SC)c1.
What is the InChIKey of N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide?
The InChIKey is LRQAPPDXICXZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4S2/c1-35-27-17-19(11-13-25(27)31-29(33)21-7-5-9-23(15-21)37-3)20-12-14-26(28(18-20)36-2)32-30(34)22-8-6-10-24(16-22)38-4/h5-18H,1-4H3,(H,31,33)(H,32,34).
What are the key properties of N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide?
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide has a molecular weight of 544.70 g/mol, XLogP of 7.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 43980864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).