N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide

C15H20N2OS2 — CID 83137418

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide
SMILESNC(=S)C(NC(=O)CC1CCSCC1)c1ccccc1
InChIInChI=1S/C15H20N2OS2/c16-15(19)14(12-4-2-1-3-5-12)17-13(18)10-11-6-8-20-9-7-11/h1-5,11,14H,6-10H2,(H2,16,19)(H,17,18)
InChIKeyCUHSOMCABWFLSM-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.66
Rot. Bonds5

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide (PubChem CID 83137418) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide
PubChem CID83137418
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide
SMILESNC(=S)C(NC(=O)CC1CCSCC1)c1ccccc1
InChIInChI=1S/C15H20N2OS2/c16-15(19)14(12-4-2-1-3-5-12)17-13(18)10-11-6-8-20-9-7-11/h1-5,11,14H,6-10H2,(H2,16,19)(H,17,18)
InChIKeyCUHSOMCABWFLSM-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[cyano(phenyl)methyl]-2-(thian-4-yl)acetamide
CID 80709074
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate
CID 6737217
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
CID 61119625
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopropylacetyl)amino]-2-phenylacetyl]amino]-2-phenylacetate
CID 140999655
N-(3-carbamothioyl-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 83136542
(2S)-2-phenyl-2-(thiolan-3-ylmethylcarbamoylamino)acetic acid
CID 107297590
N-propan-2-yl-2-(thian-4-yl)acetamide
CID 80708318
N-(2-amino-1-phenylethyl)-2-cyclopentylacetamide
CID 63755039

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide (CID 83137418) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide is NC(=S)C(NC(=O)CC1CCSCC1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide?
The InChIKey is CUHSOMCABWFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c16-15(19)14(12-4-2-1-3-5-12)17-13(18)10-11-6-8-20-9-7-11/h1-5,11,14H,6-10H2,(H2,16,19)(H,17,18).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide has a molecular weight of 308.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83137418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).