(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide

C27H28N2O3S — CID 24655874

IUPAC(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C27H28N2O3S/c1-17-11-13-20(14-12-17)33(31,32)29-18(2)27(30)28-16-19-15-25-21-7-3-5-9-23(21)26(19)24-10-6-4-8-22(24)25/h3-14,18-19,25-26,29H,15-16H2,1-2H3,(H,28,30)/t18-,19?,25?,26?/m0/s1
InChIKeyGOURFEYQWGAGGB-ZQLXEFMQSA-N
MW460.60 g/mol
LogP4.08
Rot. Bonds6

About (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (PubChem CID 24655874) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
PubChem CID24655874
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C27H28N2O3S/c1-17-11-13-20(14-12-17)33(31,32)29-18(2)27(30)28-16-19-15-25-21-7-3-5-9-23(21)26(19)24-10-6-4-8-22(24)25/h3-14,18-19,25-26,29H,15-16H2,1-2H3,(H,28,30)/t18-,19?,25?,26?/m0/s1
InChIKeyGOURFEYQWGAGGB-ZQLXEFMQSA-N
XLogP4.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide with MolForge

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Related Compounds

4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
CID 7335395
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2S)-N-(2,2-diphenylpropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 24517481
N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 4545843
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 87040272
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
2-[(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2841182
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 3580359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (CID 24655874) is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The InChIKey is GOURFEYQWGAGGB-ZQLXEFMQSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-17-11-13-20(14-12-17)33(31,32)29-18(2)27(30)28-16-19-15-25-21-7-3-5-9-23(21)26(19)24-10-6-4-8-22(24)25/h3-14,18-19,25-26,29H,15-16H2,1-2H3,(H,28,30)/t18-,19?,25?,26?/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide has a molecular weight of 460.60 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is sourced from PubChem (CID 24655874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).