1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide

C19H25ClN4O5S2 — CID 20580838

IUPAC1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN2CCCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)C1
InChIInChI=1S/C19H25ClN4O5S2/c20-16-6-5-14(30-16)7-10-31(28,29)22-15-4-2-9-24(19(15)27)12-17(25)23-8-1-3-13(11-23)18(21)26/h5-7,10,13,15,22H,1-4,8-9,11-12H2,(H2,21,26)/b10-7+
InChIKeyZNUJHQAUSJSYEO-JXMROGBWSA-N
MW489.02 g/mol
LogP1.01
Rot. Bonds7

About 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 20580838) has the molecular formula C19H25ClN4O5S2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID20580838
Molecular FormulaC19H25ClN4O5S2
Molecular Weight489.02 g/mol
Exact Mass488.10
IUPAC Name1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN2CCCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)C1
InChIInChI=1S/C19H25ClN4O5S2/c20-16-6-5-14(30-16)7-10-31(28,29)22-15-4-2-9-24(19(15)27)12-17(25)23-8-1-3-13(11-23)18(21)26/h5-7,10,13,15,22H,1-4,8-9,11-12H2,(H2,21,26)/b10-7+
InChIKeyZNUJHQAUSJSYEO-JXMROGBWSA-N
XLogP1.01
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 91076422
2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
CID 91183282
(E)-2-(6-chloro-3,4-dihydro-2H-thiopyran-2-yl)-N-[(3S)-1-[2-[7-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 142159101
methyl 1-[1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 20581502
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 20580936
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 20580959
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 91258591
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[2-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 90696048
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 20580952
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[(3-methylsulfonylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 91137309
4-[[(2S)-1-[2-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 59056923
N-[[(2S)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]methyl]-3-methylbutanamide
CID 90700134

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide (CID 20580838) is 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CN2CCCC(NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)C1.
What is the InChIKey of 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is ZNUJHQAUSJSYEO-JXMROGBWSA-N. The full InChI is InChI=1S/C19H25ClN4O5S2/c20-16-6-5-14(30-16)7-10-31(28,29)22-15-4-2-9-24(19(15)27)12-17(25)23-8-1-3-13(11-23)18(21)26/h5-7,10,13,15,22H,1-4,8-9,11-12H2,(H2,21,26)/b10-7+.
What are the key properties of 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 489.02 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 20580838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).