2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide

C22H34N4O4S — CID 41124206

IUPAC2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H34N4O4S/c1-18-6-2-3-11-25(18)17-22(27)23-20-16-19(7-8-21(20)24-9-4-5-10-24)31(28,29)26-12-14-30-15-13-26/h7-8,16,18H,2-6,9-15,17H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyYSLOWOCARCZQNB-SFHVURJKSA-N
MW450.61 g/mol
LogP2.12
Rot. Bonds6

About 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide

2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 41124206) has the molecular formula C22H34N4O4S and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID41124206
Molecular FormulaC22H34N4O4S
Molecular Weight450.61 g/mol
Exact Mass450.23
IUPAC Name2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C22H34N4O4S/c1-18-6-2-3-11-25(18)17-22(27)23-20-16-19(7-8-21(20)24-9-4-5-10-24)31(28,29)26-12-14-30-15-13-26/h7-8,16,18H,2-6,9-15,17H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyYSLOWOCARCZQNB-SFHVURJKSA-N
XLogP2.12
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
1-ethyl-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea
CID 4829989
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (CID 41124206) is 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is YSLOWOCARCZQNB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H34N4O4S/c1-18-6-2-3-11-25(18)17-22(27)23-20-16-19(7-8-21(20)24-9-4-5-10-24)31(28,29)26-12-14-30-15-13-26/h7-8,16,18H,2-6,9-15,17H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 450.61 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperidin-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 41124206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).