3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C21H26N2O3S — CID 42989426

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-11-16(2)20(14-15)27(25,26)22-13-12-21(24)23-19-9-5-7-17-6-3-4-8-18(17)19/h5,7,9-11,14,22H,3-4,6,8,12-13H2,1-2H3,(H,23,24)
InChIKeySCXSCPNCQQHQFA-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.49
Rot. Bonds6

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 42989426) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID42989426
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-11-16(2)20(14-15)27(25,26)22-13-12-21(24)23-19-9-5-7-17-6-3-4-8-18(17)19/h5,7,9-11,14,22H,3-4,6,8,12-13H2,1-2H3,(H,23,24)
InChIKeySCXSCPNCQQHQFA-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 30254375
5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 20629238
N-(2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 46797713
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 56520139
N-(5-fluoro-2-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 37478676

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 42989426) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc3c2CCCC3)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is SCXSCPNCQQHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-10-11-16(2)20(14-15)27(25,26)22-13-12-21(24)23-19-9-5-7-17-6-3-4-8-18(17)19/h5,7,9-11,14,22H,3-4,6,8,12-13H2,1-2H3,(H,23,24).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 42989426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).