N-[3-(carbamoylamino)sulfanylphenyl]acetamide

C9H11N3O2S — CID 174313236

IUPACN-[3-(carbamoylamino)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cccc(SNC(N)=O)c1
InChIInChI=1S/C9H11N3O2S/c1-6(13)11-7-3-2-4-8(5-7)15-12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
InChIKeyCJKIAZPZOYVKLH-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.32
Rot. Bonds3

About N-[3-(carbamoylamino)sulfanylphenyl]acetamide

N-[3-(carbamoylamino)sulfanylphenyl]acetamide (PubChem CID 174313236) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[3-(carbamoylamino)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)sulfanylphenyl]acetamide
PubChem CID174313236
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-[3-(carbamoylamino)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cccc(SNC(N)=O)c1
InChIInChI=1S/C9H11N3O2S/c1-6(13)11-7-3-2-4-8(5-7)15-12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
InChIKeyCJKIAZPZOYVKLH-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide
CID 54074101
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
N-(3-methylphenyl)acetamide
CID 10843
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
sodium tetrakis(3-acetamidophenyl)boranuide
CID 139966900
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
CID 58006576

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)sulfanylphenyl]acetamide?
The IUPAC name of N-[3-(carbamoylamino)sulfanylphenyl]acetamide (CID 174313236) is N-[3-(carbamoylamino)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[3-(carbamoylamino)sulfanylphenyl]acetamide?
The canonical SMILES for N-[3-(carbamoylamino)sulfanylphenyl]acetamide is CC(=O)Nc1cccc(SNC(N)=O)c1.
What is the InChIKey of N-[3-(carbamoylamino)sulfanylphenyl]acetamide?
The InChIKey is CJKIAZPZOYVKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-6(13)11-7-3-2-4-8(5-7)15-12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14).
What are the key properties of N-[3-(carbamoylamino)sulfanylphenyl]acetamide?
N-[3-(carbamoylamino)sulfanylphenyl]acetamide has a molecular weight of 225.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)sulfanylphenyl]acetamide is sourced from PubChem (CID 174313236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).