N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide

C17H21N3O4S3 — CID 33172544

IUPACN-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccsc1
InChIInChI=1S/C17H21N3O4S3/c21-15(3-7-18-17(22)13-6-11-25-12-13)20-8-4-14(5-9-20)19-27(23,24)16-2-1-10-26-16/h1-2,6,10-12,14,19H,3-5,7-9H2,(H,18,22)
InChIKeyANYCJTPHKBDMHF-UHFFFAOYSA-N
MW427.57 g/mol
LogP1.90
Rot. Bonds7

About N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide

N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide (PubChem CID 33172544) has the molecular formula C17H21N3O4S3 and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
PubChem CID33172544
Molecular FormulaC17H21N3O4S3
Molecular Weight427.57 g/mol
Exact Mass427.07
IUPAC NameN-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccsc1
InChIInChI=1S/C17H21N3O4S3/c21-15(3-7-18-17(22)13-6-11-25-12-13)20-8-4-14(5-9-20)19-27(23,24)16-2-1-10-26-16/h1-2,6,10-12,14,19H,3-5,7-9H2,(H,18,22)
InChIKeyANYCJTPHKBDMHF-UHFFFAOYSA-N
XLogP1.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
benzyl N-[4-oxo-4-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butyl]carbamate
CID 55824769
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
CID 38171192
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 38170585
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39205864
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 24680213
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide (CID 33172544) is N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide is O=C(NCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccsc1.
What is the InChIKey of N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide?
The InChIKey is ANYCJTPHKBDMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S3/c21-15(3-7-18-17(22)13-6-11-25-12-13)20-8-4-14(5-9-20)19-27(23,24)16-2-1-10-26-16/h1-2,6,10-12,14,19H,3-5,7-9H2,(H,18,22).
What are the key properties of N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide?
N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 33172544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).