N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C16H22N4O3S2 — CID 47031140

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H22N4O3S2/c1-13(11-19-9-6-17-12-19)18-16(21)15-14(5-10-24-15)25(22,23)20-7-3-2-4-8-20/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeyPZSBOGTZBLRYDB-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.94
Rot. Bonds6

About N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 47031140) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID47031140
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H22N4O3S2/c1-13(11-19-9-6-17-12-19)18-16(21)15-14(5-10-24-15)25(22,23)20-7-3-2-4-8-20/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeyPZSBOGTZBLRYDB-UHFFFAOYSA-N
XLogP1.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60618643
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 91769681
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 97335513
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 47042505
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 30944265
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 47031140) is N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is CC(Cn1ccnc1)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is PZSBOGTZBLRYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-13(11-19-9-6-17-12-19)18-16(21)15-14(5-10-24-15)25(22,23)20-7-3-2-4-8-20/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 47031140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).