N-[4-(methylcarbamothioylamino)phenyl]acetamide

C10H13N3OS — CID 7941957

IUPACN-[4-(methylcarbamothioylamino)phenyl]acetamide
SMILESCNC(=S)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H13N3OS/c1-7(14)12-8-3-5-9(6-4-8)13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyISICFWRWKUJXLA-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.56
Rot. Bonds2

About N-[4-(methylcarbamothioylamino)phenyl]acetamide

N-[4-(methylcarbamothioylamino)phenyl]acetamide (PubChem CID 7941957) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[4-(methylcarbamothioylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(methylcarbamothioylamino)phenyl]acetamide
PubChem CID7941957
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[4-(methylcarbamothioylamino)phenyl]acetamide
SMILESCNC(=S)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H13N3OS/c1-7(14)12-8-3-5-9(6-4-8)13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyISICFWRWKUJXLA-UHFFFAOYSA-N
XLogP1.56
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(methylcarbamothioylamino)benzoic acid
CID 143850051
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
1-methyl-3-(4-nitrophenyl)thiourea
CID 2957676
N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954830
1-methyl-3-[4-(methylaminomethyl)phenyl]thiourea
CID 134242005
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
N-[4-(butan-2-ylcarbamothioylamino)phenyl]acetamide
CID 43427098
N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678459
N-(4-methylphenyl)acetamide
CID 7684
N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 3608346
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
1-methyl-3-(4-propan-2-yloxyphenyl)thiourea
CID 59748887

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamothioylamino)phenyl]acetamide?
The IUPAC name of N-[4-(methylcarbamothioylamino)phenyl]acetamide (CID 7941957) is N-[4-(methylcarbamothioylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(methylcarbamothioylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(methylcarbamothioylamino)phenyl]acetamide is CNC(=S)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(methylcarbamothioylamino)phenyl]acetamide?
The InChIKey is ISICFWRWKUJXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(14)12-8-3-5-9(6-4-8)13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15).
What are the key properties of N-[4-(methylcarbamothioylamino)phenyl]acetamide?
N-[4-(methylcarbamothioylamino)phenyl]acetamide has a molecular weight of 223.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamothioylamino)phenyl]acetamide is sourced from PubChem (CID 7941957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).