N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide

C16H22N2OS — CID 63590160

IUPACN-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide
SMILESCCCCN(C(=O)Cc1ccc(C(N)=S)cc1)C1CC1
InChIInChI=1S/C16H22N2OS/c1-2-3-10-18(14-8-9-14)15(19)11-12-4-6-13(7-5-12)16(17)20/h4-7,14H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyUKUYGOSLWVIZLI-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.65
Rot. Bonds7

About N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide

N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide (PubChem CID 63590160) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide
PubChem CID63590160
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide
SMILESCCCCN(C(=O)Cc1ccc(C(N)=S)cc1)C1CC1
InChIInChI=1S/C16H22N2OS/c1-2-3-10-18(14-8-9-14)15(19)11-12-4-6-13(7-5-12)16(17)20/h4-7,14H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyUKUYGOSLWVIZLI-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
CID 63590526
2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
CID 63956825
N-(3-aminopropyl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 43136754
2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 63589266
3-(4-aminophenyl)-N-butyl-N-cyclopropylpropanamide
CID 61105833
N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide
CID 79116903
N-butyl-2-(4-ethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 56535394
4-[[butyl(cyclopropyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 61441292
2-(4-carbamothioylphenyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 63591239
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 61436967
2-(4-carbamothioylphenyl)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112659614

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide?
The IUPAC name of N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide (CID 63590160) is N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide.
What is the SMILES notation for N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide?
The canonical SMILES for N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide is CCCCN(C(=O)Cc1ccc(C(N)=S)cc1)C1CC1.
What is the InChIKey of N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide?
The InChIKey is UKUYGOSLWVIZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-3-10-18(14-8-9-14)15(19)11-12-4-6-13(7-5-12)16(17)20/h4-7,14H,2-3,8-11H2,1H3,(H2,17,20).
What are the key properties of N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide?
N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide has a molecular weight of 290.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide is sourced from PubChem (CID 63590160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).