N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

C21H27N3O6S — CID 3206953

IUPACN-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)C2CCCC2)cc1
InChIInChI=1S/C21H27N3O6S/c1-29-17-8-10-19(11-9-17)31(27,28)23-14-21(26)24(16-5-2-3-6-16)15-20(25)22-13-18-7-4-12-30-18/h4,7-12,16,23H,2-3,5-6,13-15H2,1H3,(H,22,25)
InChIKeyXPBNSBPZHOYZHR-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.65
Rot. Bonds10

About N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 3206953) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID3206953
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC NameN-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)C2CCCC2)cc1
InChIInChI=1S/C21H27N3O6S/c1-29-17-8-10-19(11-9-17)31(27,28)23-14-21(26)24(16-5-2-3-6-16)15-20(25)22-13-18-7-4-12-30-18/h4,7-12,16,23H,2-3,5-6,13-15H2,1H3,(H,22,25)
InChIKeyXPBNSBPZHOYZHR-UHFFFAOYSA-N
XLogP1.65
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 3206953) is N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is XPBNSBPZHOYZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-29-17-8-10-19(11-9-17)31(27,28)23-14-21(26)24(16-5-2-3-6-16)15-20(25)22-13-18-7-4-12-30-18/h4,7-12,16,23H,2-3,5-6,13-15H2,1H3,(H,22,25).
What are the key properties of N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 449.53 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 3206953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).