2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H25ClN2O3S — CID 51936238

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3S/c1-24(29(27,28)19-13-9-17(23)10-14-19)15-22(26)25(18-11-12-18)21-8-4-6-16-5-2-3-7-20(16)21/h2-3,5,7,9-10,13-14,18,21H,4,6,8,11-12,15H2,1H3/t21-/m1/s1
InChIKeySPUDCQLANOVAKM-OAQYLSRUSA-N
MW432.97 g/mol
LogP4.03
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 51936238) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID51936238
Molecular FormulaC22H25ClN2O3S
Molecular Weight432.97 g/mol
Exact Mass432.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3S/c1-24(29(27,28)19-13-9-17(23)10-14-19)15-22(26)25(18-11-12-18)21-8-4-6-16-5-2-3-7-20(16)21/h2-3,5,7,9-10,13-14,18,21H,4,6,8,11-12,15H2,1H3/t21-/m1/s1
InChIKeySPUDCQLANOVAKM-OAQYLSRUSA-N
XLogP4.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide with MolForge

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 55865233
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42941451
4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide
CID 55592636
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592330
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
N-cyclopropyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55593256
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 55548430
7-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide;hydrochloride
CID 119728149
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
N-[4-(diethylsulfamoyl)phenyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260706

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 51936238) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SPUDCQLANOVAKM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25ClN2O3S/c1-24(29(27,28)19-13-9-17(23)10-14-19)15-22(26)25(18-11-12-18)21-8-4-6-16-5-2-3-7-20(16)21/h2-3,5,7,9-10,13-14,18,21H,4,6,8,11-12,15H2,1H3/t21-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 432.97 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 51936238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).