(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C20H23NO4S — CID 52512198

IUPAC(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H23NO4S/c1-26(23,24)13-12-25-17-9-5-8-16(14-17)21-20(22)19-11-4-7-15-6-2-3-10-18(15)19/h2-3,5-6,8-10,14,19H,4,7,11-13H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyDMNBLARWZGRMCB-IBGZPJMESA-N
MW373.47 g/mol
LogP3.17
Rot. Bonds6

About (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 52512198) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID52512198
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H23NO4S/c1-26(23,24)13-12-25-17-9-5-8-16(14-17)21-20(22)19-11-4-7-15-6-2-3-10-18(15)19/h2-3,5-6,8-10,14,19H,4,7,11-13H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyDMNBLARWZGRMCB-IBGZPJMESA-N
XLogP3.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-N-[3-(2-methylsulfonylethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95633379
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
CID 51949510
2-methoxy-5-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]pyridine-3-carboxamide
CID 129471163
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95299403
N-(6-methoxy-5-phenylmethoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 141051472
1-benzyl-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616101
(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51960127
N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide
CID 47091982
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide
CID 47091971

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 52512198) is (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is DMNBLARWZGRMCB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO4S/c1-26(23,24)13-12-25-17-9-5-8-16(14-17)21-20(22)19-11-4-7-15-6-2-3-10-18(15)19/h2-3,5-6,8-10,14,19H,4,7,11-13H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 52512198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).