N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide

C15H29N3O4S — CID 124726040

IUPACN-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
SMILESCN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C15H29N3O4S/c1-15(2,3)17-14(20)16-13(19)10-18(4)11-8-6-7-9-12(11)23(5,21)22/h11-12H,6-10H2,1-5H3,(H2,16,17,19,20)/t11-,12-/m1/s1
InChIKeyBPMUXARULLODSG-VXGBXAGGSA-N
MW347.48 g/mol
LogP0.90
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide

N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide (PubChem CID 124726040) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
PubChem CID124726040
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
SMILESCN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C15H29N3O4S/c1-15(2,3)17-14(20)16-13(19)10-18(4)11-8-6-7-9-12(11)23(5,21)22/h11-12H,6-10H2,1-5H3,(H2,16,17,19,20)/t11-,12-/m1/s1
InChIKeyBPMUXARULLODSG-VXGBXAGGSA-N
XLogP0.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-butylcarbamoyl)-2-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 124726039
N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 84591142
N-(tert-butylcarbamoyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 34619301
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 96522124
N-(cyclopropylcarbamoyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102636538
N-(tert-butylcarbamoyl)-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 134043055
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945675
4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
CID 65068130
2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
CID 65058653
2-[(2-hydroxycyclohexyl)-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 102636285
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937
1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol
CID 111543944

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide (CID 124726040) is N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide is CN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCCC[C@H]1S(C)(=O)=O.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide?
The InChIKey is BPMUXARULLODSG-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-15(2,3)17-14(20)16-13(19)10-18(4)11-8-6-7-9-12(11)23(5,21)22/h11-12H,6-10H2,1-5H3,(H2,16,17,19,20)/t11-,12-/m1/s1.
What are the key properties of N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide?
N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide has a molecular weight of 347.48 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide is sourced from PubChem (CID 124726040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).