2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide

C20H25N3O4S2 — CID 3206804

IUPAC2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H25N3O4S2/c24-19(22-16-7-4-5-8-16)15-23(14-17-9-6-12-28-17)20(25)13-21-29(26,27)18-10-2-1-3-11-18/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2,(H,22,24)
InChIKeyMMKANRJHPRRIQB-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.11
Rot. Bonds9

About 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3206804) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3206804
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H25N3O4S2/c24-19(22-16-7-4-5-8-16)15-23(14-17-9-6-12-28-17)20(25)13-21-29(26,27)18-10-2-1-3-11-18/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2,(H,22,24)
InChIKeyMMKANRJHPRRIQB-UHFFFAOYSA-N
XLogP2.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 3206804) is 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCC1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MMKANRJHPRRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c24-19(22-16-7-4-5-8-16)15-23(14-17-9-6-12-28-17)20(25)13-21-29(26,27)18-10-2-1-3-11-18/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2,(H,22,24).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 435.57 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3206804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).