4-anilino-4-sulfanylidenebutanamide

C10H12N2OS — CID 140968084

IUPAC4-anilino-4-sulfanylidenebutanamide
SMILESNC(=O)CCC(=S)Nc1ccccc1
InChIInChI=1S/C10H12N2OS/c11-9(13)6-7-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)
InChIKeyROFNHNKTZAWBRX-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.69
Rot. Bonds4

About 4-anilino-4-sulfanylidenebutanamide

4-anilino-4-sulfanylidenebutanamide (PubChem CID 140968084) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-anilino-4-sulfanylidenebutanamide.

Molecular Properties

Compound Name4-anilino-4-sulfanylidenebutanamide
PubChem CID140968084
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-anilino-4-sulfanylidenebutanamide
SMILESNC(=O)CCC(=S)Nc1ccccc1
InChIInChI=1S/C10H12N2OS/c11-9(13)6-7-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)
InChIKeyROFNHNKTZAWBRX-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.69
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

3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
phenylurea;thiourea
CID 160770333
4-anilinobutanamide
CID 67066705
N-phenyloctanethioamide
CID 3767527
3-fluoro-N-phenylpropanamide
CID 70366284
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
sodium;hydride;phenylthiourea
CID 174376840
molecular hydrogen;phenylurea
CID 143657584
carbamic acid;methane;phenylcarbamic acid
CID 70508846
ethanol;phenylurea
CID 158950745
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112

Frequently Asked Questions

What is the IUPAC name of 4-anilino-4-sulfanylidenebutanamide?
The IUPAC name of 4-anilino-4-sulfanylidenebutanamide (CID 140968084) is 4-anilino-4-sulfanylidenebutanamide.
What is the SMILES notation for 4-anilino-4-sulfanylidenebutanamide?
The canonical SMILES for 4-anilino-4-sulfanylidenebutanamide is NC(=O)CCC(=S)Nc1ccccc1.
What is the InChIKey of 4-anilino-4-sulfanylidenebutanamide?
The InChIKey is ROFNHNKTZAWBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-9(13)6-7-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14).
What are the key properties of 4-anilino-4-sulfanylidenebutanamide?
4-anilino-4-sulfanylidenebutanamide has a molecular weight of 208.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-4-sulfanylidenebutanamide is sourced from PubChem (CID 140968084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).