3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide

C18H27N3O5S — CID 119693225

IUPAC3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(N)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O5S/c1-2-26-16-6-5-15(20-18(22)13-3-4-14(19)11-13)12-17(16)27(23,24)21-7-9-25-10-8-21/h5-6,12-14H,2-4,7-11,19H2,1H3,(H,20,22)
InChIKeyLTVZKSHNIARAMG-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.17
Rot. Bonds6

About 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide

3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide (PubChem CID 119693225) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
PubChem CID119693225
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(N)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O5S/c1-2-26-16-6-5-15(20-18(22)13-3-4-14(19)11-13)12-17(16)27(23,24)21-7-9-25-10-8-21/h5-6,12-14H,2-4,7-11,19H2,1H3,(H,20,22)
InChIKeyLTVZKSHNIARAMG-UHFFFAOYSA-N
XLogP1.17
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
CID 46532531
(2S,5R)-5-(aminomethyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)oxolane-2-carboxamide
CID 120784202
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55445819
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)morpholine-3-carboxamide
CID 119688738
4-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46446491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide (CID 119693225) is 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide is CCOc1ccc(NC(=O)C2CCC(N)C2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide?
The InChIKey is LTVZKSHNIARAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-2-26-16-6-5-15(20-18(22)13-3-4-14(19)11-13)12-17(16)27(23,24)21-7-9-25-10-8-21/h5-6,12-14H,2-4,7-11,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119693225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).