N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C20H24ClN3O4S2 — CID 55540758

IUPACN-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCC(NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O4S2/c1-2-18(15-3-5-16(21)6-4-15)23-19(25)14-29-20-8-7-17(13-22-20)30(26,27)24-9-11-28-12-10-24/h3-8,13,18H,2,9-12,14H2,1H3,(H,23,25)
InChIKeyVYKBLKKSXASEHU-UHFFFAOYSA-N
MW470.02 g/mol
LogP3.12
Rot. Bonds8

About N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 55540758) has the molecular formula C20H24ClN3O4S2 and a molecular weight of 470.02 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID55540758
Molecular FormulaC20H24ClN3O4S2
Molecular Weight470.02 g/mol
Exact Mass469.09
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCC(NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O4S2/c1-2-18(15-3-5-16(21)6-4-15)23-19(25)14-29-20-8-7-17(13-22-20)30(26,27)24-9-11-28-12-10-24/h3-8,13,18H,2,9-12,14H2,1H3,(H,23,25)
InChIKeyVYKBLKKSXASEHU-UHFFFAOYSA-N
XLogP3.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55501188
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
N-[(2R)-butan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779648
N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17429620
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614
N-(4-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117204
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7774854
2-chloro-N-[1-(4-methylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43000663
N-[(2R)-pentan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779660
N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30698413
N,N-bis(2-methylpropyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377579

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 55540758) is N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is CCC(NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is VYKBLKKSXASEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S2/c1-2-18(15-3-5-16(21)6-4-15)23-19(25)14-29-20-8-7-17(13-22-20)30(26,27)24-9-11-28-12-10-24/h3-8,13,18H,2,9-12,14H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 470.02 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 55540758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).