N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide

C26H24F3N3O3S — CID 102490766

IUPACN,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(C(F)(F)F)cc2)c2cc3ccccc3n2C(=O)N(C)C)cc1
InChIInChI=1S/C26H24F3N3O3S/c1-17-8-14-21(15-9-17)36(34,35)30-24(18-10-12-20(13-11-18)26(27,28)29)23-16-19-6-4-5-7-22(19)32(23)25(33)31(2)3/h4-16,24,30H,1-3H3/t24-/m1/s1
InChIKeySHUQWIFMMPBTSP-XMMPIXPASA-N
MW515.56 g/mol
LogP5.57
Rot. Bonds5

About N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide

N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide (PubChem CID 102490766) has the molecular formula C26H24F3N3O3S and a molecular weight of 515.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide
PubChem CID102490766
Molecular FormulaC26H24F3N3O3S
Molecular Weight515.56 g/mol
Exact Mass515.15
IUPAC NameN,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(C(F)(F)F)cc2)c2cc3ccccc3n2C(=O)N(C)C)cc1
InChIInChI=1S/C26H24F3N3O3S/c1-17-8-14-21(15-9-17)36(34,35)30-24(18-10-12-20(13-11-18)26(27,28)29)23-16-19-6-4-5-7-22(19)32(23)25(33)31(2)3/h4-16,24,30H,1-3H3/t24-/m1/s1
InChIKeySHUQWIFMMPBTSP-XMMPIXPASA-N
XLogP5.57
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.56
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide
CID 132583322
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
CID 25496727
4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide
CID 164685083
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
N-(2-bromo-1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122227607
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide (CID 102490766) is N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccc(C(F)(F)F)cc2)c2cc3ccccc3n2C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide?
The InChIKey is SHUQWIFMMPBTSP-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24F3N3O3S/c1-17-8-14-21(15-9-17)36(34,35)30-24(18-10-12-20(13-11-18)26(27,28)29)23-16-19-6-4-5-7-22(19)32(23)25(33)31(2)3/h4-16,24,30H,1-3H3/t24-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide?
N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide has a molecular weight of 515.56 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide is sourced from PubChem (CID 102490766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).