N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

C18H22N2O3S2 — CID 15999291

IUPACN-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-15-9-4-5-10-15)16(13-14-7-2-1-3-8-14)20-25(22,23)17-11-6-12-24-17/h1-3,6-8,11-12,15-16,20H,4-5,9-10,13H2,(H,19,21)
InChIKeyOOGRFHWZFUCPDC-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.70
Rot. Bonds7

About N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 15999291) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID15999291
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-15-9-4-5-10-15)16(13-14-7-2-1-3-8-14)20-25(22,23)17-11-6-12-24-17/h1-3,6-8,11-12,15-16,20H,4-5,9-10,13H2,(H,19,21)
InChIKeyOOGRFHWZFUCPDC-UHFFFAOYSA-N
XLogP2.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 15999291) is N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is O=C(NC1CCCC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is OOGRFHWZFUCPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-18(19-15-9-4-5-10-15)16(13-14-7-2-1-3-8-14)20-25(22,23)17-11-6-12-24-17/h1-3,6-8,11-12,15-16,20H,4-5,9-10,13H2,(H,19,21).
What are the key properties of N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 378.52 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 15999291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).