N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide

C17H24N4O3S2 — CID 87016774

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCC(NS(C)(=O)=O)C1)c1nc2ccccc2s1
InChIInChI=1S/C17H24N4O3S2/c1-3-21(17-18-14-8-4-5-9-15(14)25-17)16(22)12-20-10-6-7-13(11-20)19-26(2,23)24/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3
InChIKeySSKYEVQJQIAFFO-UHFFFAOYSA-N
MW396.54 g/mol
LogP1.66
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide (PubChem CID 87016774) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
PubChem CID87016774
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCC(NS(C)(=O)=O)C1)c1nc2ccccc2s1
InChIInChI=1S/C17H24N4O3S2/c1-3-21(17-18-14-8-4-5-9-15(14)25-17)16(22)12-20-10-6-7-13(11-20)19-26(2,23)24/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3
InChIKeySSKYEVQJQIAFFO-UHFFFAOYSA-N
XLogP1.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 97321128
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
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N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570197
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
CID 78815678
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 26551879
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111496521
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
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N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-(1,3-benzothiazol-2-yl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 55598090
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46566048
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide (CID 87016774) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide is CCN(C(=O)CN1CCCC(NS(C)(=O)=O)C1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
The InChIKey is SSKYEVQJQIAFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-3-21(17-18-14-8-4-5-9-15(14)25-17)16(22)12-20-10-6-7-13(11-20)19-26(2,23)24/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide is sourced from PubChem (CID 87016774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).