N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide

C15H18N2O4S2 — CID 3245997

IUPACN-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide
SMILESCOc1ccc(NC(=O)CCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-21-13-8-6-12(7-9-13)17-14(18)4-2-10-16-23(19,20)15-5-3-11-22-15/h3,5-9,11,16H,2,4,10H2,1H3,(H,17,18)
InChIKeyFPLZVOSHBCTWHK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds8

About N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide

N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 3245997) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID3245997
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide
SMILESCOc1ccc(NC(=O)CCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-21-13-8-6-12(7-9-13)17-14(18)4-2-10-16-23(19,20)15-5-3-11-22-15/h3,5-9,11,16H,2,4,10H2,1H3,(H,17,18)
InChIKeyFPLZVOSHBCTWHK-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide (CID 3245997) is N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide is COc1ccc(NC(=O)CCCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is FPLZVOSHBCTWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-21-13-8-6-12(7-9-13)17-14(18)4-2-10-16-23(19,20)15-5-3-11-22-15/h3,5-9,11,16H,2,4,10H2,1H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide?
N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 354.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 3245997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).