N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide

C21H26N4O5S2 — CID 24611613

IUPACN-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)CCNC(=O)c3ccsc3)CC2)cc1
InChIInChI=1S/C21H26N4O5S2/c1-15(26)23-17-2-4-19(5-3-17)32(29,30)25-11-7-18(8-12-25)24-20(27)6-10-22-21(28)16-9-13-31-14-16/h2-5,9,13-14,18H,6-8,10-12H2,1H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyDDDJKDHNKJUOFO-UHFFFAOYSA-N
MW478.60 g/mol
LogP1.80
Rot. Bonds8

About N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 24611613) has the molecular formula C21H26N4O5S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID24611613
Molecular FormulaC21H26N4O5S2
Molecular Weight478.60 g/mol
Exact Mass478.13
IUPAC NameN-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)CCNC(=O)c3ccsc3)CC2)cc1
InChIInChI=1S/C21H26N4O5S2/c1-15(26)23-17-2-4-19(5-3-17)32(29,30)25-11-7-18(8-12-25)24-20(27)6-10-22-21(28)16-9-13-31-14-16/h2-5,9,13-14,18H,6-8,10-12H2,1H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyDDDJKDHNKJUOFO-UHFFFAOYSA-N
XLogP1.80
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55951815
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
CID 24614368
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 24611592
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[4-[(1-methylsulfonylpiperidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 47909584
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398
2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide
CID 7205951

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide (CID 24611613) is N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)CCNC(=O)c3ccsc3)CC2)cc1.
What is the InChIKey of N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is DDDJKDHNKJUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S2/c1-15(26)23-17-2-4-19(5-3-17)32(29,30)25-11-7-18(8-12-25)24-20(27)6-10-22-21(28)16-9-13-31-14-16/h2-5,9,13-14,18H,6-8,10-12H2,1H3,(H,22,28)(H,23,26)(H,24,27).
What are the key properties of N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 24611613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).