1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide

C15H26N4O4S — CID 119505712

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide
SMILESCCNCCNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1
InChIInChI=1S/C15H26N4O4S/c1-4-16-9-10-17-14(20)15(7-5-6-8-15)19-24(21,22)13-11(2)18-23-12(13)3/h16,19H,4-10H2,1-3H3,(H,17,20)
InChIKeySYEDFLFQLJHDEP-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.61
Rot. Bonds8

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 119505712) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID119505712
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide
SMILESCCNCCNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1
InChIInChI=1S/C15H26N4O4S/c1-4-16-9-10-17-14(20)15(7-5-6-8-15)19-24(21,22)13-11(2)18-23-12(13)3/h16,19H,4-10H2,1-3H3,(H,17,20)
InChIKeySYEDFLFQLJHDEP-UHFFFAOYSA-N
XLogP0.61
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120651592
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119223574
N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 120505759
3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119220960
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid
CID 119358864
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119980726
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60660895
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120607149
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide (CID 119505712) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide is CCNCCNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is SYEDFLFQLJHDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-4-16-9-10-17-14(20)15(7-5-6-8-15)19-24(21,22)13-11(2)18-23-12(13)3/h16,19H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119505712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).