2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

C17H20N2O4S — CID 24850422

IUPAC2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESO=C(CO)NCC1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21
InChIInChI=1S/C17H20N2O4S/c20-11-17(21)19-9-13-3-1-2-12-8-14(4-5-16(12)13)24(22,23)15-6-7-18-10-15/h4-8,10,13,18,20H,1-3,9,11H2,(H,19,21)
InChIKeyDQOMXWGWUKXPEV-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.38
Rot. Bonds5

About 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (PubChem CID 24850422) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
PubChem CID24850422
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESO=C(CO)NCC1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21
InChIInChI=1S/C17H20N2O4S/c20-11-17(21)19-9-13-3-1-2-12-8-14(4-5-16(12)13)24(22,23)15-6-7-18-10-15/h4-8,10,13,18,20H,1-3,9,11H2,(H,19,21)
InChIKeyDQOMXWGWUKXPEV-UHFFFAOYSA-N
XLogP1.38
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(methylamino)acetamide
CID 46890884
methyl N-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 66651422
3-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 141148482
3-[[5-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-pyrrole;[6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 160612145
[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 66651597
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542
2-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-1,4-dihydroimidazol-5-one
CID 66651314
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
6-(benzenesulfonyl)-1-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalene
CID 162148460
1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97309468

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (CID 24850422) is 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is O=C(CO)NCC1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21.
What is the InChIKey of 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The InChIKey is DQOMXWGWUKXPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-11-17(21)19-9-13-3-1-2-12-8-14(4-5-16(12)13)24(22,23)15-6-7-18-10-15/h4-8,10,13,18,20H,1-3,9,11H2,(H,19,21).
What are the key properties of 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[6-(1H-pyrrol-3-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 24850422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).