(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C19H22N2O4S — CID 51960127

IUPAC(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(NS(C)(=O)=O)c(NC(=O)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C19H22N2O4S/c1-25-14-10-11-17(21-26(2,23)24)18(12-14)20-19(22)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16,21H,5,7,9H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPRZDBWRPGBBECJ-INIZCTEOSA-N
MW374.46 g/mol
LogP3.13
Rot. Bonds5

About (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 51960127) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID51960127
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(NS(C)(=O)=O)c(NC(=O)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C19H22N2O4S/c1-25-14-10-11-17(21-26(2,23)24)18(12-14)20-19(22)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16,21H,5,7,9H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPRZDBWRPGBBECJ-INIZCTEOSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559494
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60613509
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
CID 51949510
(1S)-N-[3-(2-methylsulfonylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52512198
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
3-methylsulfonyl-5-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)benzoic acid
CID 119257791

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 51960127) is (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc(NS(C)(=O)=O)c(NC(=O)[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is PRZDBWRPGBBECJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-14-10-11-17(21-26(2,23)24)18(12-14)20-19(22)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16,21H,5,7,9H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 51960127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).