2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H20ClF3N2O3S — CID 30225649

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H20ClF3N2O3S/c1-30(28,29)26(18-11-14(20(22,23)24)9-10-16(18)21)12-19(27)25-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17H,4,6,8,12H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyDLTZVRMQNVCVQP-QGZVFWFLSA-N
MW460.91 g/mol
LogP4.32
Rot. Bonds5

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 30225649) has the molecular formula C20H20ClF3N2O3S and a molecular weight of 460.91 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID30225649
Molecular FormulaC20H20ClF3N2O3S
Molecular Weight460.91 g/mol
Exact Mass460.08
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H20ClF3N2O3S/c1-30(28,29)26(18-11-14(20(22,23)24)9-10-16(18)21)12-19(27)25-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17H,4,6,8,12H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyDLTZVRMQNVCVQP-QGZVFWFLSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.91
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92675186
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28569839
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43898475
2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28984802
2-(2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30243488
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895927
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92676137
2-(4-iodo-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30230341
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92673967
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30221208
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2912776
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43896317

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 30225649) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is DLTZVRMQNVCVQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClF3N2O3S/c1-30(28,29)26(18-11-14(20(22,23)24)9-10-16(18)21)12-19(27)25-17-8-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,9-11,17H,4,6,8,12H2,1H3,(H,25,27)/t17-/m1/s1.
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 460.91 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 30225649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).