4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide

C20H23N3O3S — CID 19629813

IUPAC4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
SMILESCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-4-18(24)22-15-9-11-17(12-10-15)27-13(2)20(26)23-16-7-5-14(6-8-16)19(21)25/h5-13H,3-4H2,1-2H3,(H2,21,25)(H,22,24)(H,23,26)
InChIKeyZFWSRNGLALSXBR-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.64
Rot. Bonds8

About 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide

4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide (PubChem CID 19629813) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
PubChem CID19629813
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
SMILESCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-4-18(24)22-15-9-11-17(12-10-15)27-13(2)20(26)23-16-7-5-14(6-8-16)19(21)25/h5-13H,3-4H2,1-2H3,(H2,21,25)(H,22,24)(H,23,26)
InChIKeyZFWSRNGLALSXBR-UHFFFAOYSA-N
XLogP3.64
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 19629898
4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
CID 7847449
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22775784
4-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-4-oxobutanoic acid
CID 22786241
4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]benzamide
CID 8633884
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide
CID 18912418
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19629753
N-[4-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22781041

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide?
The IUPAC name of 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide (CID 19629813) is 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide.
What is the SMILES notation for 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide?
The canonical SMILES for 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide is CCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide?
The InChIKey is ZFWSRNGLALSXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-4-18(24)22-15-9-11-17(12-10-15)27-13(2)20(26)23-16-7-5-14(6-8-16)19(21)25/h5-13H,3-4H2,1-2H3,(H2,21,25)(H,22,24)(H,23,26).
What are the key properties of 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide?
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 19629813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).