3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

C32H26N2O3S — CID 18903484

IUPAC3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccc4ccccc4c3)c3ccccc3)c2)c1
InChIInChI=1S/C32H26N2O3S/c1-37-28-15-7-13-25(20-28)31(35)33-26-14-8-16-29(21-26)38-30(23-10-3-2-4-11-23)32(36)34-27-18-17-22-9-5-6-12-24(22)19-27/h2-21,30H,1H3,(H,33,35)(H,34,36)
InChIKeyOQCGADPWRQKLQA-UHFFFAOYSA-N
MW518.64 g/mol
LogP7.57
Rot. Bonds8

About 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (PubChem CID 18903484) has the molecular formula C32H26N2O3S and a molecular weight of 518.64 g/mol. Its IUPAC name is 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
PubChem CID18903484
Molecular FormulaC32H26N2O3S
Molecular Weight518.64 g/mol
Exact Mass518.17
IUPAC Name3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccc4ccccc4c3)c3ccccc3)c2)c1
InChIInChI=1S/C32H26N2O3S/c1-37-28-15-7-13-25(20-28)31(35)33-26-14-8-16-29(21-26)38-30(23-10-3-2-4-11-23)32(36)34-27-18-17-22-9-5-6-12-24(22)19-27/h2-21,30H,1H3,(H,33,35)(H,34,36)
InChIKeyOQCGADPWRQKLQA-UHFFFAOYSA-N
XLogP7.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903454
N-[3-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903472
N-[3-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903501
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18903794
3-methoxy-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899616
N-[3-[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903470
2-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide
CID 18903515
N-[4-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 21168810
N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903460
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908350
N-[4-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 21169445
2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (CID 18903484) is 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is COc1cccc(C(=O)Nc2cccc(SC(C(=O)Nc3ccc4ccccc4c3)c3ccccc3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The InChIKey is OQCGADPWRQKLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3S/c1-37-28-15-7-13-25(20-28)31(35)33-26-14-8-16-29(21-26)38-30(23-10-3-2-4-11-23)32(36)34-27-18-17-22-9-5-6-12-24(22)19-27/h2-21,30H,1H3,(H,33,35)(H,34,36).
What are the key properties of 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide has a molecular weight of 518.64 g/mol, XLogP of 7.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18903484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).