N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C24H34N4O5S3 — CID 4839985

IUPACN-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)cc2)CC1
InChIInChI=1S/C24H34N4O5S3/c1-26-16-12-20(13-17-26)27(2)35(30,31)22-9-6-19(7-10-22)25-23(29)18-21-8-11-24(34-21)36(32,33)28-14-4-3-5-15-28/h6-11,20H,3-5,12-18H2,1-2H3,(H,25,29)
InChIKeyVIEPQUWZOSDHCE-UHFFFAOYSA-N
MW554.76 g/mol
LogP2.82
Rot. Bonds8

About N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 4839985) has the molecular formula C24H34N4O5S3 and a molecular weight of 554.76 g/mol. Its IUPAC name is N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID4839985
Molecular FormulaC24H34N4O5S3
Molecular Weight554.76 g/mol
Exact Mass554.17
IUPAC NameN-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)cc2)CC1
InChIInChI=1S/C24H34N4O5S3/c1-26-16-12-20(13-17-26)27(2)35(30,31)22-9-6-19(7-10-22)25-23(29)18-21-8-11-24(34-21)36(32,33)28-14-4-3-5-15-28/h6-11,20H,3-5,12-18H2,1-2H3,(H,25,29)
InChIKeyVIEPQUWZOSDHCE-UHFFFAOYSA-N
XLogP2.82
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
CID 46553984
N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60607705
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 7941191
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 23770843
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2449300
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
N-[4-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33274811

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 4839985) is N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)s3)cc2)CC1.
What is the InChIKey of N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is VIEPQUWZOSDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S3/c1-26-16-12-20(13-17-26)27(2)35(30,31)22-9-6-19(7-10-22)25-23(29)18-21-8-11-24(34-21)36(32,33)28-14-4-3-5-15-28/h6-11,20H,3-5,12-18H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 554.76 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 4839985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).