N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C20H27N3O3S2 — CID 51948333

IUPACN-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESC[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)N(C)c1ccccc1
InChIInChI=1S/C20H27N3O3S2/c1-16(22(2)17-9-5-3-6-10-17)15-21-20(24)19-18(11-14-27-19)28(25,26)23-12-7-4-8-13-23/h3,5-6,9-11,14,16H,4,7-8,12-13,15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyMNKJATFLJQNDOI-INIZCTEOSA-N
MW421.59 g/mol
LogP3.18
Rot. Bonds7

About N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 51948333) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID51948333
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESC[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)N(C)c1ccccc1
InChIInChI=1S/C20H27N3O3S2/c1-16(22(2)17-9-5-3-6-10-17)15-21-20(24)19-18(11-14-27-19)28(25,26)23-12-7-4-8-13-23/h3,5-6,9-11,14,16H,4,7-8,12-13,15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyMNKJATFLJQNDOI-INIZCTEOSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55465334
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 47042505
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55610163
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664
N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55637487
N-[4-(4-ethylpiperazin-1-yl)butyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 78871188

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 51948333) is N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)N(C)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is MNKJATFLJQNDOI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-16(22(2)17-9-5-3-6-10-17)15-21-20(24)19-18(11-14-27-19)28(25,26)23-12-7-4-8-13-23/h3,5-6,9-11,14,16H,4,7-8,12-13,15H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(N-methylanilino)propyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 51948333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).