N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C20H29N3O5S2 — CID 55329432

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O5S2/c1-16-5-6-17(13-18(16)30(26,27)23-7-3-2-4-8-23)21-19(24)14-29-15-20(25)22-9-11-28-12-10-22/h5-6,13H,2-4,7-12,14-15H2,1H3,(H,21,24)
InChIKeyCKPOIDSOORKMAP-UHFFFAOYSA-N
MW455.60 g/mol
LogP1.70
Rot. Bonds7

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55329432) has the molecular formula C20H29N3O5S2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55329432
Molecular FormulaC20H29N3O5S2
Molecular Weight455.60 g/mol
Exact Mass455.15
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O5S2/c1-16-5-6-17(13-18(16)30(26,27)23-7-3-2-4-8-23)21-19(24)14-29-15-20(25)22-9-11-28-12-10-22/h5-6,13H,2-4,7-12,14-15H2,1H3,(H,21,24)
InChIKeyCKPOIDSOORKMAP-UHFFFAOYSA-N
XLogP1.70
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 31009791
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530317
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55329432) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is CKPOIDSOORKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S2/c1-16-5-6-17(13-18(16)30(26,27)23-7-3-2-4-8-23)21-19(24)14-29-15-20(25)22-9-11-28-12-10-22/h5-6,13H,2-4,7-12,14-15H2,1H3,(H,21,24).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 455.60 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55329432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).