N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C16H19N3O2S — CID 30895160

IUPACN-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NCC[C@@H]1CCCO1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-15(17-9-8-13-7-4-10-21-13)14-11-18-16(22)19(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H,17,20)(H,18,22)/t13-/m0/s1
InChIKeyQPMRCUMPYRJWKN-ZDUSSCGKSA-N
MW317.41 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 30895160) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID30895160
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NCC[C@@H]1CCCO1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C16H19N3O2S/c20-15(17-9-8-13-7-4-10-21-13)14-11-18-16(22)19(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H,17,20)(H,18,22)/t13-/m0/s1
InChIKeyQPMRCUMPYRJWKN-ZDUSSCGKSA-N
XLogP2.83
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dioxan-4-ylmethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 102560806
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
N-[2-(cyclohexen-1-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 27666504
1-(cyclopropylmethyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]indole-2-carboxamide
CID 124854159
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenylfuran-2-carboxamide
CID 30895473
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 30895160) is N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is O=C(NCC[C@@H]1CCCO1)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is QPMRCUMPYRJWKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(17-9-8-13-7-4-10-21-13)14-11-18-16(22)19(14)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H,17,20)(H,18,22)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 30895160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).