N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide

C22H28N2O2S — CID 19629770

IUPACN-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O2S/c1-5-6-21(25)23-18-11-13-20(14-12-18)27-16(4)22(26)24-19-9-7-17(8-10-19)15(2)3/h7-16H,5-6H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyPRHXEOAYOYVETH-UHFFFAOYSA-N
MW384.55 g/mol
LogP5.67
Rot. Bonds8

About N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide

N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide (PubChem CID 19629770) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
PubChem CID19629770
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O2S/c1-5-6-21(25)23-18-11-13-20(14-12-18)27-16(4)22(26)24-19-9-7-17(8-10-19)15(2)3/h7-16H,5-6H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyPRHXEOAYOYVETH-UHFFFAOYSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22775784
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 19629898
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289
4-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-4-oxobutanoic acid
CID 22786241
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
N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19631573
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide
CID 18912418
N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 18901523

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
The IUPAC name of N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide (CID 19629770) is N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide.
What is the SMILES notation for N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
The canonical SMILES for N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide is CCCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
The InChIKey is PRHXEOAYOYVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-5-6-21(25)23-18-11-13-20(14-12-18)27-16(4)22(26)24-19-9-7-17(8-10-19)15(2)3/h7-16H,5-6H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide has a molecular weight of 384.55 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide is sourced from PubChem (CID 19629770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).