(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

C22H30N2O4S — CID 30404005

IUPAC(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-13-10-15(3)20(12-14(13)2)17(5)23-22(25)18(6)24-29(26,27)19-8-9-21(28-7)16(4)11-19/h8-12,17-18,24H,1-7H3,(H,23,25)/t17-,18-/m0/s1
InChIKeyOCBZWYQXDSKFFK-ROUUACIJSA-N
MW418.56 g/mol
LogP3.47
Rot. Bonds7

About (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 30404005) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID30404005
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-13-10-15(3)20(12-14(13)2)17(5)23-22(25)18(6)24-29(26,27)19-8-9-21(28-7)16(4)11-19/h8-12,17-18,24H,1-7H3,(H,23,25)/t17-,18-/m0/s1
InChIKeyOCBZWYQXDSKFFK-ROUUACIJSA-N
XLogP3.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide with MolForge

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Related Compounds

(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404331
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30403963
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 28549239
(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 30404005) is (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is OCBZWYQXDSKFFK-ROUUACIJSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-13-10-15(3)20(12-14(13)2)17(5)23-22(25)18(6)24-29(26,27)19-8-9-21(28-7)16(4)11-19/h8-12,17-18,24H,1-7H3,(H,23,25)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 30404005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).