1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea

C19H24N4O3S2 — CID 9428881

IUPAC1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea
SMILESCN(CC(=O)NNC(=S)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N4O3S2/c1-23(13-18(24)21-22-19(27)20-16-8-4-5-9-16)28(25,26)17-11-10-14-6-2-3-7-15(14)12-17/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,21,24)(H2,20,22,27)
InChIKeyGSRDXAOTGWNSQF-UHFFFAOYSA-N
MW420.56 g/mol
LogP1.90
Rot. Bonds5

About 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea

1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea (PubChem CID 9428881) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea
PubChem CID9428881
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea
SMILESCN(CC(=O)NNC(=S)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N4O3S2/c1-23(13-18(24)21-22-19(27)20-16-8-4-5-9-16)28(25,26)17-11-10-14-6-2-3-7-15(14)12-17/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,21,24)(H2,20,22,27)
InChIKeyGSRDXAOTGWNSQF-UHFFFAOYSA-N
XLogP1.90
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 9427774
N-methyl-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]naphthalene-2-sulfonamide
CID 9401971
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
(2R)-2-[benzyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125073715
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]propanamide
CID 132627228
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]propanamide
CID 100500563
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea?
The IUPAC name of 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea (CID 9428881) is 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea is CN(CC(=O)NNC(=S)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea?
The InChIKey is GSRDXAOTGWNSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-23(13-18(24)21-22-19(27)20-16-8-4-5-9-16)28(25,26)17-11-10-14-6-2-3-7-15(14)12-17/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,21,24)(H2,20,22,27).
What are the key properties of 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea?
1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea has a molecular weight of 420.56 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]thiourea is sourced from PubChem (CID 9428881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).