(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

C22H30N4O5S2 — CID 92895467

IUPAC(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)cc3)C2)s1
InChIInChI=1S/C22H30N4O5S2/c1-4-26(5-2)33(29,30)20-13-12-19(32-20)24-22(28)25-14-6-7-16(15-25)21(27)23-17-8-10-18(31-3)11-9-17/h8-13,16H,4-7,14-15H2,1-3H3,(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyGXYNOORHEGNOTH-INIZCTEOSA-N
MW494.64 g/mol
LogP3.67
Rot. Bonds8

About (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 92895467) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID92895467
Molecular FormulaC22H30N4O5S2
Molecular Weight494.64 g/mol
Exact Mass494.17
IUPAC Name(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)cc3)C2)s1
InChIInChI=1S/C22H30N4O5S2/c1-4-26(5-2)33(29,30)20-13-12-19(32-20)24-22(28)25-14-6-7-16(15-25)21(27)23-17-8-10-18(31-3)11-9-17/h8-13,16H,4-7,14-15H2,1-3H3,(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyGXYNOORHEGNOTH-INIZCTEOSA-N
XLogP3.67
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 46379847
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
CID 46379830
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperidine-1,3-dicarboxamide
CID 650630
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 92895467) is (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)cc3)C2)s1.
What is the InChIKey of (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is GXYNOORHEGNOTH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-4-26(5-2)33(29,30)20-13-12-19(32-20)24-22(28)25-14-6-7-16(15-25)21(27)23-17-8-10-18(31-3)11-9-17/h8-13,16H,4-7,14-15H2,1-3H3,(H,23,27)(H,24,28)/t16-/m0/s1.
What are the key properties of (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 92895467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).