N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

C23H28N2O2S — CID 18901392

IUPACN-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCCC(Sc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O2S/c1-4-21(23(27)24-18-12-10-16(11-13-18)15(2)3)28-20-7-5-6-19(14-20)25-22(26)17-8-9-17/h5-7,10-15,17,21H,4,8-9H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyWRUBUCWVUFBIQA-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.67
Rot. Bonds8

About N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 18901392) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID18901392
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCCC(Sc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O2S/c1-4-21(23(27)24-18-12-10-16(11-13-18)15(2)3)28-20-7-5-6-19(14-20)25-22(26)17-8-9-17/h5-7,10-15,17,21H,4,8-9H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyWRUBUCWVUFBIQA-UHFFFAOYSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-(4-iodoanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901408
N-[3-[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901404
N-[3-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907743
4-oxo-4-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylanilino]butanoic acid
CID 18897156
N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907732
4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid
CID 18907754
N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908304
2-methyl-N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]benzamide
CID 18906576
N-[3-[1-(2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907742
N-[3-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901250
6-[[3-[1-(4-iodoanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 18896308
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 18901392) is N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide is CCC(Sc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is WRUBUCWVUFBIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-4-21(23(27)24-18-12-10-16(11-13-18)15(2)3)28-20-7-5-6-19(14-20)25-22(26)17-8-9-17/h5-7,10-15,17,21H,4,8-9H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 396.56 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-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 18901392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).