N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide

C17H21N3O4S2 — CID 9081738

IUPACN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccsc1
InChIInChI=1S/C17H21N3O4S2/c1-19-6-8-20(9-7-19)26(22,23)14-3-4-16(24-2)15(11-14)18-17(21)13-5-10-25-12-13/h3-5,10-12H,6-9H2,1-2H3,(H,18,21)
InChIKeyAJOQOFQSWANKOW-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.95
Rot. Bonds5

About N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide

N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide (PubChem CID 9081738) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide
PubChem CID9081738
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccsc1
InChIInChI=1S/C17H21N3O4S2/c1-19-6-8-20(9-7-19)26(22,23)14-3-4-16(24-2)15(11-14)18-17(21)13-5-10-25-12-13/h3-5,10-12H,6-9H2,1-2H3,(H,18,21)
InChIKeyAJOQOFQSWANKOW-UHFFFAOYSA-N
XLogP1.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 38932274
4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 99968279

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide (CID 9081738) is N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccsc1.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide?
The InChIKey is AJOQOFQSWANKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-19-6-8-20(9-7-19)26(22,23)14-3-4-16(24-2)15(11-14)18-17(21)13-5-10-25-12-13/h3-5,10-12H,6-9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide?
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 9081738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).