4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide

C22H29NO3S — CID 133190837

IUPAC4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)CCCC3)cc1C(C)C
InChIInChI=1S/C22H29NO3S/c1-15(2)21-14-20(11-12-22(21)26-4)27(24,25)23-16(3)18-10-9-17-7-5-6-8-19(17)13-18/h9-16,23H,5-8H2,1-4H3
InChIKeyCIHJWKHVSLKFEI-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.74
Rot. Bonds6

About 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide

4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide (PubChem CID 133190837) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
PubChem CID133190837
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC Name4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)CCCC3)cc1C(C)C
InChIInChI=1S/C22H29NO3S/c1-15(2)21-14-20(11-12-22(21)26-4)27(24,25)23-16(3)18-10-9-17-7-5-6-8-19(17)13-18/h9-16,23H,5-8H2,1-4H3
InChIKeyCIHJWKHVSLKFEI-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133189130
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 94501246
3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133188828
2,3-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133188758
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 100570121
N-[4-[[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 94501255
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100518038
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide (CID 133190837) is 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)CCCC3)cc1C(C)C.
What is the InChIKey of 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is CIHJWKHVSLKFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-15(2)21-14-20(11-12-22(21)26-4)27(24,25)23-16(3)18-10-9-17-7-5-6-8-19(17)13-18/h9-16,23H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide?
4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 133190837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).