N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C18H26N4O4S2 — CID 30117534

IUPACN-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H26N4O4S2/c23-16(21-18(24)20-14-6-2-3-7-14)13-27-17-9-8-15(12-19-17)28(25,26)22-10-4-1-5-11-22/h8-9,12,14H,1-7,10-11,13H2,(H2,20,21,23,24)
InChIKeyPSPHOJVCZYZHHA-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.12
Rot. Bonds6

About N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 30117534) has the molecular formula C18H26N4O4S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID30117534
Molecular FormulaC18H26N4O4S2
Molecular Weight426.56 g/mol
Exact Mass426.14
IUPAC NameN-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H26N4O4S2/c23-16(21-18(24)20-14-6-2-3-7-14)13-27-17-9-8-15(12-19-17)28(25,26)22-10-4-1-5-11-22/h8-9,12,14H,1-7,10-11,13H2,(H2,20,21,23,24)
InChIKeyPSPHOJVCZYZHHA-UHFFFAOYSA-N
XLogP2.12
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
N-cycloheptyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593969
N-(cyclopentylcarbamoyl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 24668359
N-(1-adamantylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 18776531
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 41481598
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561730
(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
N-[(2R)-butan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779648
methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate
CID 7561709

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 30117534) is N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is PSPHOJVCZYZHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S2/c23-16(21-18(24)20-14-6-2-3-7-14)13-27-17-9-8-15(12-19-17)28(25,26)22-10-4-1-5-11-22/h8-9,12,14H,1-7,10-11,13H2,(H2,20,21,23,24).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 30117534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).