2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide

C18H25N3O3S2 — CID 54786281

IUPAC2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H25N3O3S2/c22-17(13-14-5-1-2-6-14)20-18(25)19-15-7-9-16(10-8-15)26(23,24)21-11-3-4-12-21/h7-10,14H,1-6,11-13H2,(H2,19,20,22,25)
InChIKeyNCYDXQGAYHIMEJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.86
Rot. Bonds5

About 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide

2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide (PubChem CID 54786281) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
PubChem CID54786281
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H25N3O3S2/c22-17(13-14-5-1-2-6-14)20-18(25)19-15-7-9-16(10-8-15)26(23,24)21-11-3-4-12-21/h7-10,14H,1-6,11-13H2,(H2,19,20,22,25)
InChIKeyNCYDXQGAYHIMEJ-UHFFFAOYSA-N
XLogP2.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.86
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

2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]propanamide
CID 1014399
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 54786669
2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 54786315
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4821142
N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787521
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-cyclohexylpropanamide
CID 4934530
2-methoxyethyl 4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate
CID 17338835
cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 6971323

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide (CID 54786281) is 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide is O=C(CC1CCCC1)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
The InChIKey is NCYDXQGAYHIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c22-17(13-14-5-1-2-6-14)20-18(25)19-15-7-9-16(10-8-15)26(23,24)21-11-3-4-12-21/h7-10,14H,1-6,11-13H2,(H2,19,20,22,25).
What are the key properties of 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide?
2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 54786281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).