N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

C21H19ClN2O5S2 — CID 15988771

IUPACN-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1Cl
InChIInChI=1S/C21H19ClN2O5S2/c1-29-18-9-8-16(13-17(18)22)24-21(26)14-4-6-15(7-5-14)23-19(25)10-12-31(27,28)20-3-2-11-30-20/h2-9,11,13H,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeySXJMAUIYZVBFQH-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.46
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (PubChem CID 15988771) has the molecular formula C21H19ClN2O5S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
PubChem CID15988771
Molecular FormulaC21H19ClN2O5S2
Molecular Weight478.98 g/mol
Exact Mass478.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1Cl
InChIInChI=1S/C21H19ClN2O5S2/c1-29-18-9-8-16(13-17(18)22)24-21(26)14-4-6-15(7-5-14)23-19(25)10-12-31(27,28)20-3-2-11-30-20/h2-9,11,13H,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeySXJMAUIYZVBFQH-UHFFFAOYSA-N
XLogP4.46
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (CID 15988771) is N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The InChIKey is SXJMAUIYZVBFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S2/c1-29-18-9-8-16(13-17(18)22)24-21(26)14-4-6-15(7-5-14)23-19(25)10-12-31(27,28)20-3-2-11-30-20/h2-9,11,13H,10,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide has a molecular weight of 478.98 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is sourced from PubChem (CID 15988771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).