2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C17H19ClN2O4S2 — CID 99795349

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCCc2c(O)cccc21)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2O4S2/c1-20(26(23,24)17-9-8-15(18)25-17)10-16(22)19-13-6-2-5-12-11(13)4-3-7-14(12)21/h3-4,7-9,13,21H,2,5-6,10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyYRTHBXLICXIHNZ-CYBMUJFWSA-N
MW414.94 g/mol
LogP2.92
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 99795349) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID99795349
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCCc2c(O)cccc21)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2O4S2/c1-20(26(23,24)17-9-8-15(18)25-17)10-16(22)19-13-6-2-5-12-11(13)4-3-7-14(12)21/h3-4,7-9,13,21H,2,5-6,10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyYRTHBXLICXIHNZ-CYBMUJFWSA-N
XLogP2.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 99795349) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(CC(=O)N[C@@H]1CCCc2c(O)cccc21)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is YRTHBXLICXIHNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c1-20(26(23,24)17-9-8-15(18)25-17)10-16(22)19-13-6-2-5-12-11(13)4-3-7-14(12)21/h3-4,7-9,13,21H,2,5-6,10H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 414.94 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 99795349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).