N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C21H26ClN3O4S2 — CID 55610163

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H26ClN3O4S2/c22-17-6-2-1-5-16(17)18(24-10-12-29-13-11-24)15-23-21(26)20-19(7-14-30-20)31(27,28)25-8-3-4-9-25/h1-2,5-7,14,18H,3-4,8-13,15H2,(H,23,26)
InChIKeyZMHFPEIBVDVMFD-UHFFFAOYSA-N
MW484.04 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 55610163) has the molecular formula C21H26ClN3O4S2 and a molecular weight of 484.04 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID55610163
Molecular FormulaC21H26ClN3O4S2
Molecular Weight484.04 g/mol
Exact Mass483.11
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H26ClN3O4S2/c22-17-6-2-1-5-16(17)18(24-10-12-29-13-11-24)15-23-21(26)20-19(7-14-30-20)31(27,28)25-8-3-4-9-25/h1-2,5-7,14,18H,3-4,8-13,15H2,(H,23,26)
InChIKeyZMHFPEIBVDVMFD-UHFFFAOYSA-N
XLogP2.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55712867
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55642193
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 52909875
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 55574957
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51659248
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 55610163) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is O=C(NCC(c1ccccc1Cl)N1CCOCC1)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is ZMHFPEIBVDVMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S2/c22-17-6-2-1-5-16(17)18(24-10-12-29-13-11-24)15-23-21(26)20-19(7-14-30-20)31(27,28)25-8-3-4-9-25/h1-2,5-7,14,18H,3-4,8-13,15H2,(H,23,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 484.04 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55610163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).