N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide

C11H15N3O2S — CID 107034090

IUPACN-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESNC(=O)NCCNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C11H15N3O2S/c12-11(16)14-6-5-13-10(15)7-8-1-3-9(17)4-2-8/h1-4,17H,5-7H2,(H,13,15)(H3,12,14,16)
InChIKeyCAWLYLLLZKKBFU-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.30
Rot. Bonds5

About N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide

N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107034090) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107034090
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESNC(=O)NCCNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C11H15N3O2S/c12-11(16)14-6-5-13-10(15)7-8-1-3-9(17)4-2-8/h1-4,17H,5-7H2,(H,13,15)(H3,12,14,16)
InChIKeyCAWLYLLLZKKBFU-UHFFFAOYSA-N
XLogP0.30
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106327305
N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
CID 107035066
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
CID 107033812
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 114130505

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide (CID 107034090) is N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide is NC(=O)NCCNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is CAWLYLLLZKKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-11(16)14-6-5-13-10(15)7-8-1-3-9(17)4-2-8/h1-4,17H,5-7H2,(H,13,15)(H3,12,14,16).
What are the key properties of N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 253.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107034090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).