4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide

C22H37N3O3S — CID 59231550

IUPAC4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NCC1CCC(NS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C22H37N3O3S/c1-15(2)24-21(26)18-9-12-20(16(3)13-18)23-14-17-7-10-19(11-8-17)25-29(27,28)22(4,5)6/h9,12-13,15,17,19,23,25H,7-8,10-11,14H2,1-6H3,(H,24,26)
InChIKeyFBBLIKCTZZGCJY-UHFFFAOYSA-N
MW423.62 g/mol
LogP3.82
Rot. Bonds7

About 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide

4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide (PubChem CID 59231550) has the molecular formula C22H37N3O3S and a molecular weight of 423.62 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide
PubChem CID59231550
Molecular FormulaC22H37N3O3S
Molecular Weight423.62 g/mol
Exact Mass423.26
IUPAC Name4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NCC1CCC(NS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C22H37N3O3S/c1-15(2)24-21(26)18-9-12-20(16(3)13-18)23-14-17-7-10-19(11-8-17)25-29(27,28)22(4,5)6/h9,12-13,15,17,19,23,25H,7-8,10-11,14H2,1-6H3,(H,24,26)
InChIKeyFBBLIKCTZZGCJY-UHFFFAOYSA-N
XLogP3.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.62
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)methylamino]-3-methyl-N-propan-2-ylbenzamide
CID 59549618
N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939049
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
CID 132970891
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
CID 70939054
4-[[4-(tert-butylsulfanylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzamide
CID 59231644
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
N-[4-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376590
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376594
4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-3-methyl-N-propan-2-ylbenzamide
CID 58144586
N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
4-[(3-hydroxycyclohexyl)methylamino]-3-methylbenzoic acid
CID 114148427

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide (CID 59231550) is 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide is Cc1cc(C(=O)NC(C)C)ccc1NCC1CCC(NS(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is FBBLIKCTZZGCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3S/c1-15(2)24-21(26)18-9-12-20(16(3)13-18)23-14-17-7-10-19(11-8-17)25-29(27,28)22(4,5)6/h9,12-13,15,17,19,23,25H,7-8,10-11,14H2,1-6H3,(H,24,26).
What are the key properties of 4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide?
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 423.62 g/mol, XLogP of 3.82, 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)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 59231550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).