N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide

C21H25N3O4S2 — CID 46553984

IUPACN-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C21H25N3O4S2/c25-19(22-16-6-4-15(5-7-16)21(26)23-17-8-9-17)14-18-10-11-20(29-18)30(27,28)24-12-2-1-3-13-24/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,22,25)(H,23,26)
InChIKeySCDINKGTYUUTSI-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.00
Rot. Bonds7

About N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide

N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide (PubChem CID 46553984) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
PubChem CID46553984
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC NameN-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C21H25N3O4S2/c25-19(22-16-6-4-15(5-7-16)21(26)23-17-8-9-17)14-18-10-11-20(29-18)30(27,28)24-12-2-1-3-13-24/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,22,25)(H,23,26)
InChIKeySCDINKGTYUUTSI-UHFFFAOYSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561
N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 4839985
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
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2449300
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
N-[4-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33274811
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 23770843
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-[2-(aminomethyl)cyclopentyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119603615

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide (CID 46553984) is N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
The InChIKey is SCDINKGTYUUTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c25-19(22-16-6-4-15(5-7-16)21(26)23-17-8-9-17)14-18-10-11-20(29-18)30(27,28)24-12-2-1-3-13-24/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide has a molecular weight of 447.58 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 46553984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).