4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide

C25H37N3O3S — CID 118376739

IUPAC4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide
SMILESCc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NCc1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H37N3O3S/c1-15(2)27-24(29)22-16(3)18(5)23(19(6)17(22)4)26-14-20-10-12-21(13-11-20)28-32(30,31)25(7,8)9/h10-13,15,26,28H,14H2,1-9H3,(H,27,29)
InChIKeyZJLDSCRZTNTNGE-UHFFFAOYSA-N
MW459.66 g/mol
LogP5.21
Rot. Bonds7

About 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide

4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide (PubChem CID 118376739) has the molecular formula C25H37N3O3S and a molecular weight of 459.66 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide
PubChem CID118376739
Molecular FormulaC25H37N3O3S
Molecular Weight459.66 g/mol
Exact Mass459.26
IUPAC Name4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide
SMILESCc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NCc1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H37N3O3S/c1-15(2)27-24(29)22-16(3)18(5)23(19(6)17(22)4)26-14-20-10-12-21(13-11-20)28-32(30,31)25(7,8)9/h10-13,15,26,28H,14H2,1-9H3,(H,27,29)
InChIKeyZJLDSCRZTNTNGE-UHFFFAOYSA-N
XLogP5.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.66
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide with MolForge

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Related Compounds

N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 106911292
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
2,2-dimethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]propane-1-sulfonamide
CID 106911188
N-[4-[(3,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939425
N-[4-[(3-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939384
N-[4-(2-bromoethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 114296474
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939392
2-methyl-N-[4-[[(5-methyl-2-oxochromen-6-yl)amino]methyl]phenyl]propane-2-sulfonamide
CID 89118473
N-[4-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376615
N-[4-[[(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939871
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide (CID 118376739) is 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide is Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NCc1ccc(NS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide?
The InChIKey is ZJLDSCRZTNTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3S/c1-15(2)27-24(29)22-16(3)18(5)23(19(6)17(22)4)26-14-20-10-12-21(13-11-20)28-32(30,31)25(7,8)9/h10-13,15,26,28H,14H2,1-9H3,(H,27,29).
What are the key properties of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide?
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide has a molecular weight of 459.66 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-2,3,5,6-tetramethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 118376739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).