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

C21H31N3O5S — CID 3206884

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCC2)CC2CCCO2)cc1
InChIInChI=1S/C21H31N3O5S/c1-16-8-10-19(11-9-16)30(27,28)22-13-21(26)24(14-18-7-4-12-29-18)15-20(25)23-17-5-2-3-6-17/h8-11,17-18,22H,2-7,12-15H2,1H3,(H,23,25)
InChIKeyPPFCWCGBHBWOQY-UHFFFAOYSA-N
MW437.56 g/mol
LogP1.34
Rot. Bonds9

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

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3206884) has the molecular formula C21H31N3O5S and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3206884
Molecular FormulaC21H31N3O5S
Molecular Weight437.56 g/mol
Exact Mass437.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCC2)CC2CCCO2)cc1
InChIInChI=1S/C21H31N3O5S/c1-16-8-10-19(11-9-16)30(27,28)22-13-21(26)24(14-18-7-4-12-29-18)15-20(25)23-17-5-2-3-6-17/h8-11,17-18,22H,2-7,12-15H2,1H3,(H,23,25)
InChIKeyPPFCWCGBHBWOQY-UHFFFAOYSA-N
XLogP1.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 3206884) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCC2)CC2CCCO2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PPFCWCGBHBWOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5S/c1-16-8-10-19(11-9-16)30(27,28)22-13-21(26)24(14-18-7-4-12-29-18)15-20(25)23-17-5-2-3-6-17/h8-11,17-18,22H,2-7,12-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 437.56 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3206884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).