N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide

C21H27ClN2O3S — CID 97016636

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-14(2)11-16-5-7-17(8-6-16)15(3)23-13-21(25)24-20-12-18(28(4,26)27)9-10-19(20)22/h5-10,12,14-15,23H,11,13H2,1-4H3,(H,24,25)/t15-/m1/s1
InChIKeyOGEIETAHRBHVJW-OAHLLOKOSA-N
MW422.98 g/mol
LogP4.23
Rot. Bonds8

About N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide (PubChem CID 97016636) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide
PubChem CID97016636
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-14(2)11-16-5-7-17(8-6-16)15(3)23-13-21(25)24-20-12-18(28(4,26)27)9-10-19(20)22/h5-10,12,14-15,23H,11,13H2,1-4H3,(H,24,25)/t15-/m1/s1
InChIKeyOGEIETAHRBHVJW-OAHLLOKOSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 29116891
2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 97059230
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
4-amino-N-(2-chloro-5-methylsulfonylphenyl)-3-methylbutanamide
CID 81076001
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 97006326
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide (CID 97016636) is N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide is CC(C)Cc1ccc([C@@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide?
The InChIKey is OGEIETAHRBHVJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-14(2)11-16-5-7-17(8-6-16)15(3)23-13-21(25)24-20-12-18(28(4,26)27)9-10-19(20)22/h5-10,12,14-15,23H,11,13H2,1-4H3,(H,24,25)/t15-/m1/s1.
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide has a molecular weight of 422.98 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide is sourced from PubChem (CID 97016636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).