N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide

C21H26N2O3S — CID 19629898

IUPACN-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-6-20(24)22-16-9-13-19(14-10-16)27-15(3)21(25)23-17-7-11-18(12-8-17)26-5-2/h7-15H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKOFCXEHWXGSCNV-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.94
Rot. Bonds9

About N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide

N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide (PubChem CID 19629898) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
PubChem CID19629898
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-6-20(24)22-16-9-13-19(14-10-16)27-15(3)21(25)23-17-7-11-18(12-8-17)26-5-2/h7-15H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKOFCXEHWXGSCNV-UHFFFAOYSA-N
XLogP4.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22775784
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 55835190
4-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-4-oxobutanoic acid
CID 22786241
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19629753
(E)-4-[4-[1-(4-butoxyanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786084
N-(4-ethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434101
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
The IUPAC name of N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide (CID 19629898) is N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide.
What is the SMILES notation for N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
The canonical SMILES for N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide is CCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
The InChIKey is KOFCXEHWXGSCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-6-20(24)22-16-9-13-19(14-10-16)27-15(3)21(25)23-17-7-11-18(12-8-17)26-5-2/h7-15H,4-6H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide?
N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide has a molecular weight of 386.52 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide is sourced from PubChem (CID 19629898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).