N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

C19H29N3O4S — CID 17476150

IUPACN-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O4S/c1-12-18(13(2)26-22-12)27(24,25)21-4-3-17(23)20-11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-16,21H,3-11H2,1-2H3,(H,20,23)
InChIKeyYWFRRAAUDGEPMV-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.29
Rot. Bonds7

About N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (PubChem CID 17476150) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
PubChem CID17476150
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O4S/c1-12-18(13(2)26-22-12)27(24,25)21-4-3-17(23)20-11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-16,21H,3-11H2,1-2H3,(H,20,23)
InChIKeyYWFRRAAUDGEPMV-UHFFFAOYSA-N
XLogP2.29
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
[2-(1-adamantyl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737017
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110295831
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(imidazo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 110416152
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methyl-3-phenylpropyl)propanamide
CID 110356539
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9259359
N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9042417
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9369647
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (CID 17476150) is N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The InChIKey is YWFRRAAUDGEPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-12-18(13(2)26-22-12)27(24,25)21-4-3-17(23)20-11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-16,21H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide has a molecular weight of 395.53 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 17476150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).