2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide

C25H25N3O4S — CID 18903443

IUPAC2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide
SMILESCCC(Sc1cccc(NC(=O)c2cccc(OC)c2)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C25H25N3O4S/c1-3-22(25(31)28-21-13-5-4-12-20(21)23(26)29)33-19-11-7-9-17(15-19)27-24(30)16-8-6-10-18(14-16)32-2/h4-15,22H,3H2,1-2H3,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyOXCQIDWXTJJOQP-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.56
Rot. Bonds9

About 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide

2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide (PubChem CID 18903443) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide
PubChem CID18903443
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide
SMILESCCC(Sc1cccc(NC(=O)c2cccc(OC)c2)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C25H25N3O4S/c1-3-22(25(31)28-21-13-5-4-12-20(21)23(26)29)33-19-11-7-9-17(15-19)27-24(30)16-8-6-10-18(14-16)32-2/h4-15,22H,3H2,1-2H3,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyOXCQIDWXTJJOQP-UHFFFAOYSA-N
XLogP4.56
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908339
N-[3-[1-(2-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903384
2-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide
CID 18903515
N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903385
2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide
CID 22782366
4-methoxy-N-[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18903690
N-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906587
N-[3-[1-(2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903710
3-methoxy-N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18903426
2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzamide
CID 18907475
N-[3-[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902852
N-[3-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18905147

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide?
The IUPAC name of 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide (CID 18903443) is 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide.
What is the SMILES notation for 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide?
The canonical SMILES for 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide is CCC(Sc1cccc(NC(=O)c2cccc(OC)c2)c1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide?
The InChIKey is OXCQIDWXTJJOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-3-22(25(31)28-21-13-5-4-12-20(21)23(26)29)33-19-11-7-9-17(15-19)27-24(30)16-8-6-10-18(14-16)32-2/h4-15,22H,3H2,1-2H3,(H2,26,29)(H,27,30)(H,28,31).
What are the key properties of 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide?
2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide has a molecular weight of 463.56 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide is sourced from PubChem (CID 18903443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).