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

C20H28FN3O5S — CID 3207002

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C20H28FN3O5S/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)
InChIKeyIMMBFVKWWMMERO-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.17
Rot. Bonds9

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

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207002) has the molecular formula C20H28FN3O5S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207002
Molecular FormulaC20H28FN3O5S
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C20H28FN3O5S/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)
InChIKeyIMMBFVKWWMMERO-UHFFFAOYSA-N
XLogP1.17
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.17
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-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 3207002) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IMMBFVKWWMMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O5S/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 N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 1.17, 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-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).