N-(4-carbamothioylphenyl)-2-methylpropanamide

C11H14N2OS — CID 24694083

IUPACN-(4-carbamothioylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C11H14N2OS/c1-7(2)11(14)13-9-5-3-8(4-6-9)10(12)15/h3-7H,1-2H3,(H2,12,15)(H,13,14)
InChIKeyGYLSXCBEBIXUIG-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.92
Rot. Bonds3

About N-(4-carbamothioylphenyl)-2-methylpropanamide

N-(4-carbamothioylphenyl)-2-methylpropanamide (PubChem CID 24694083) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-methylpropanamide
PubChem CID24694083
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(4-carbamothioylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C11H14N2OS/c1-7(2)11(14)13-9-5-3-8(4-6-9)10(12)15/h3-7H,1-2H3,(H2,12,15)(H,13,14)
InChIKeyGYLSXCBEBIXUIG-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
2-(4-carbamothioylanilino)-N-methylpropanamide
CID 61467405
N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
CID 2468229
N-(4-carbamothioylphenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295842
2-(4-carbamothioylphenoxy)-N-phenylpropanamide
CID 43116878
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-methylpropanamide (CID 24694083) is N-(4-carbamothioylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-methylpropanamide?
The InChIKey is GYLSXCBEBIXUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7(2)11(14)13-9-5-3-8(4-6-9)10(12)15/h3-7H,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of N-(4-carbamothioylphenyl)-2-methylpropanamide?
N-(4-carbamothioylphenyl)-2-methylpropanamide has a molecular weight of 222.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-methylpropanamide is sourced from PubChem (CID 24694083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).