N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide

C18H27N3O3S2 — CID 3667035

IUPACN-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=S)NC(=O)C2CCCC2)ccc1C
InChIInChI=1S/C18H27N3O3S2/c1-4-21(5-2)26(23,24)16-12-15(11-10-13(16)3)19-18(25)20-17(22)14-8-6-7-9-14/h10-12,14H,4-9H2,1-3H3,(H2,19,20,22,25)
InChIKeyMVSWZKHYVJQRQP-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.03
Rot. Bonds6

About N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide

N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide (PubChem CID 3667035) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
PubChem CID3667035
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC NameN-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=S)NC(=O)C2CCCC2)ccc1C
InChIInChI=1S/C18H27N3O3S2/c1-4-21(5-2)26(23,24)16-12-15(11-10-13(16)3)19-18(25)20-17(22)14-8-6-7-9-14/h10-12,14H,4-9H2,1-3H3,(H2,19,20,22,25)
InChIKeyMVSWZKHYVJQRQP-UHFFFAOYSA-N
XLogP3.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634
N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46586044
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
1-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(2-fluorophenyl)thiourea
CID 5010403
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742308
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 41293196
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide
CID 1015506

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide?
The IUPAC name of N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide (CID 3667035) is N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=S)NC(=O)C2CCCC2)ccc1C.
What is the InChIKey of N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide?
The InChIKey is MVSWZKHYVJQRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c1-4-21(5-2)26(23,24)16-12-15(11-10-13(16)3)19-18(25)20-17(22)14-8-6-7-9-14/h10-12,14H,4-9H2,1-3H3,(H2,19,20,22,25).
What are the key properties of N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide?
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide has a molecular weight of 397.57 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide is sourced from PubChem (CID 3667035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).