N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide

C17H23N3O4S2 — CID 2412835

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1
InChIInChI=1S/C17H23N3O4S2/c21-16(13-3-1-2-4-13)19-17(25)18-14-5-7-15(8-6-14)26(22,23)20-9-11-24-12-10-20/h5-8,13H,1-4,9-12H2,(H2,18,19,21,25)
InChIKeySUYMHYKMYUHLFY-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.71
Rot. Bonds4

About N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide

N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide (PubChem CID 2412835) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
PubChem CID2412835
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1
InChIInChI=1S/C17H23N3O4S2/c21-16(13-3-1-2-4-13)19-17(25)18-14-5-7-15(8-6-14)26(22,23)20-9-11-24-12-10-20/h5-8,13H,1-4,9-12H2,(H2,18,19,21,25)
InChIKeySUYMHYKMYUHLFY-UHFFFAOYSA-N
XLogP1.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]cyclopropanecarboxamide
CID 1226675
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2210495
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
CID 54786281
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
4-cyclohexyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271620
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide
CID 4936946
1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 23879090

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide (CID 2412835) is N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide is O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide?
The InChIKey is SUYMHYKMYUHLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c21-16(13-3-1-2-4-13)19-17(25)18-14-5-7-15(8-6-14)26(22,23)20-9-11-24-12-10-20/h5-8,13H,1-4,9-12H2,(H2,18,19,21,25).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide?
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide has a molecular weight of 397.52 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide is sourced from PubChem (CID 2412835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).