N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide

C16H20N2O2S — CID 63709938

IUPACN-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H20N2O2S/c17-15(21)12-5-3-6-13(12)18-16(19)11-8-9-20-14-7-2-1-4-10(11)14/h1-2,4,7,11-13H,3,5-6,8-9H2,(H2,17,21)(H,18,19)
InChIKeyVCKHAJXSGVRBSP-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.12
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63709938) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63709938
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNC(=S)C1CCCC1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H20N2O2S/c17-15(21)12-5-3-6-13(12)18-16(19)11-8-9-20-14-7-2-1-4-10(11)14/h1-2,4,7,11-13H,3,5-6,8-9H2,(H2,17,21)(H,18,19)
InChIKeyVCKHAJXSGVRBSP-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-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

(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708325
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 114631288
N-(1-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 55248313
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 63709938) is N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide is NC(=S)C1CCCC1NC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is VCKHAJXSGVRBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-15(21)12-5-3-6-13(12)18-16(19)11-8-9-20-14-7-2-1-4-10(11)14/h1-2,4,7,11-13H,3,5-6,8-9H2,(H2,17,21)(H,18,19).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).