2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

C20H28ClN3O5S — CID 3207090

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C20H28ClN3O5S/c21-15-7-9-18(10-8-15)30(27,28)22-12-20(26)24(13-17-6-3-11-29-17)14-19(25)23-16-4-1-2-5-16/h7-10,16-17,22H,1-6,11-14H2,(H,23,25)
InChIKeyUDFOYVKXTSSYHK-UHFFFAOYSA-N
MW457.98 g/mol
LogP1.68
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207090) has the molecular formula C20H28ClN3O5S and a molecular weight of 457.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207090
Molecular FormulaC20H28ClN3O5S
Molecular Weight457.98 g/mol
Exact Mass457.14
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C20H28ClN3O5S/c21-15-7-9-18(10-8-15)30(27,28)22-12-20(26)24(13-17-6-3-11-29-17)14-19(25)23-16-4-1-2-5-16/h7-10,16-17,22H,1-6,11-14H2,(H,23,25)
InChIKeyUDFOYVKXTSSYHK-UHFFFAOYSA-N
XLogP1.68
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2971829
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101
2-[(2-Benzenesulfonylamino-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-cyclopentyl-3-methyl-butyramide
CID 3207190
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16807588
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834151
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834259
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2388239
2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 3149553
2-(4-Fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 3207014
2-Benzenesulfonylamino-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207195

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 3207090) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UDFOYVKXTSSYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S/c21-15-7-9-18(10-8-15)30(27,28)22-12-20(26)24(13-17-6-3-11-29-17)14-19(25)23-16-4-1-2-5-16/h7-10,16-17,22H,1-6,11-14H2,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 457.98 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).