2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide

C24H23N3O4S — CID 22782366

IUPAC2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3ccccc3C(N)=O)cc2)c1
InChIInChI=1S/C24H23N3O4S/c1-15(23(29)27-21-9-4-3-8-20(21)22(25)28)32-19-12-10-17(11-13-19)26-24(30)16-6-5-7-18(14-16)31-2/h3-15H,1-2H3,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyRYUGLVQZGXKVLE-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.17
Rot. Bonds8

About 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide

2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide (PubChem CID 22782366) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide
PubChem CID22782366
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3ccccc3C(N)=O)cc2)c1
InChIInChI=1S/C24H23N3O4S/c1-15(23(29)27-21-9-4-3-8-20(21)22(25)28)32-19-12-10-17(11-13-19)26-24(30)16-6-5-7-18(14-16)31-2/h3-15H,1-2H3,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyRYUGLVQZGXKVLE-UHFFFAOYSA-N
XLogP4.17
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55875547
2-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide
CID 18903515
2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide
CID 18903443
methyl 2-[[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate
CID 21167980
3-methoxy-N-[4-[1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23097634
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956454
2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956456
N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903294
N-[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907907
4-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 18903290
N-[4-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 23099692
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
The IUPAC name of 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide (CID 22782366) is 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide.
What is the SMILES notation for 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
The canonical SMILES for 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide is COc1cccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3ccccc3C(N)=O)cc2)c1.
What is the InChIKey of 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
The InChIKey is RYUGLVQZGXKVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-15(23(29)27-21-9-4-3-8-20(21)22(25)28)32-19-12-10-17(11-13-19)26-24(30)16-6-5-7-18(14-16)31-2/h3-15H,1-2H3,(H2,25,28)(H,26,30)(H,27,29).
What are the key properties of 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 22782366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).