4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide

C21H22N2O4S2 — CID 30885606

IUPAC4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-2-3-14-27-17-12-10-16(11-13-17)21(24)22-18-7-4-5-8-19(18)23-29(25,26)20-9-6-15-28-20/h4-13,15,23H,2-3,14H2,1H3,(H,22,24)
InChIKeyNCELYZBHRMIIMF-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.98
Rot. Bonds9

About 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide

4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide (PubChem CID 30885606) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
PubChem CID30885606
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-2-3-14-27-17-12-10-16(11-13-17)21(24)22-18-7-4-5-8-19(18)23-29(25,26)20-9-6-15-28-20/h4-13,15,23H,2-3,14H2,1H3,(H,22,24)
InChIKeyNCELYZBHRMIIMF-UHFFFAOYSA-N
XLogP4.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.98
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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Related Compounds

N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68692111
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 43067087

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide (CID 30885606) is 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
The InChIKey is NCELYZBHRMIIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-2-3-14-27-17-12-10-16(11-13-17)21(24)22-18-7-4-5-8-19(18)23-29(25,26)20-9-6-15-28-20/h4-13,15,23H,2-3,14H2,1H3,(H,22,24).
What are the key properties of 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide?
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 30885606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).