N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide

C16H20N2O4S2 — CID 3244569

IUPACN-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide
SMILESCOc1cccc(CNC(=O)CCCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H20N2O4S2/c1-22-14-6-2-5-13(11-14)12-17-15(19)7-3-9-18-24(20,21)16-8-4-10-23-16/h2,4-6,8,10-11,18H,3,7,9,12H2,1H3,(H,17,19)
InChIKeyVIWMMTWZBDMKIK-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.13
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide

N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 3244569) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID3244569
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide
SMILESCOc1cccc(CNC(=O)CCCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H20N2O4S2/c1-22-14-6-2-5-13(11-14)12-17-15(19)7-3-9-18-24(20,21)16-8-4-10-23-16/h2,4-6,8,10-11,18H,3,7,9,12H2,1H3,(H,17,19)
InChIKeyVIWMMTWZBDMKIK-UHFFFAOYSA-N
XLogP2.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.13
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-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide (CID 3244569) is N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide is COc1cccc(CNC(=O)CCCNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is VIWMMTWZBDMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-22-14-6-2-5-13(11-14)12-17-15(19)7-3-9-18-24(20,21)16-8-4-10-23-16/h2,4-6,8,10-11,18H,3,7,9,12H2,1H3,(H,17,19).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide?
N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 368.48 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 3244569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).