N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide

C19H20N2O3S — CID 25276476

IUPACN-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1
InChIInChI=1S/C19H20N2O3S/c1-12-2-10-17(25-12)16(22)9-11-18(23)20-14-5-7-15(8-6-14)21-19(24)13-3-4-13/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyHANVDBHRWCGMAE-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.01
Rot. Bonds7

About N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 25276476) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID25276476
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1
InChIInChI=1S/C19H20N2O3S/c1-12-2-10-17(25-12)16(22)9-11-18(23)20-14-5-7-15(8-6-14)21-19(24)13-3-4-13/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyHANVDBHRWCGMAE-UHFFFAOYSA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 42489231
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782372
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55375869
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55810921
N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
CID 79193047
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134016428
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
CID 167843165

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide (CID 25276476) is N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide is Cc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1.
What is the InChIKey of N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is HANVDBHRWCGMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-2-10-17(25-12)16(22)9-11-18(23)20-14-5-7-15(8-6-14)21-19(24)13-3-4-13/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 25276476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).