N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide

C15H19N3O4S2 — CID 42903610

IUPACN-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NC1CC1
InChIInChI=1S/C15H19N3O4S2/c1-9(14(19)16-10-4-5-10)23-15-17-12-8-11(6-7-13(12)22-15)24(20,21)18(2)3/h6-10H,4-5H2,1-3H3,(H,16,19)
InChIKeyUEEHZLWWZZWICN-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.84
Rot. Bonds6

About N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide

N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide (PubChem CID 42903610) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide
PubChem CID42903610
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC NameN-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NC1CC1
InChIInChI=1S/C15H19N3O4S2/c1-9(14(19)16-10-4-5-10)23-15-17-12-8-11(6-7-13(12)22-15)24(20,21)18(2)3/h6-10H,4-5H2,1-3H3,(H,16,19)
InChIKeyUEEHZLWWZZWICN-UHFFFAOYSA-N
XLogP1.84
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 41169234
2-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 24527413
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)propanamide
CID 112779935
N-cyclohexyl-2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 9322715
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 56811597
(2R)-N-(4-methylphenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 41169164
N,N-dimethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3-benzoxazole-5-sulfonamide
CID 55391936
2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40814072
N-cyclooctyl-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 23761832
2-[2-[(1R,2R)-2-fluorocyclopropanecarbonyl]hydrazinyl]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 166385953
N,N-dimethyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-1,3-benzoxazole-5-sulfonamide
CID 112786832
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 8953954

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide (CID 42903610) is N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide is CC(Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide?
The InChIKey is UEEHZLWWZZWICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-9(14(19)16-10-4-5-10)23-15-17-12-8-11(6-7-13(12)22-15)24(20,21)18(2)3/h6-10H,4-5H2,1-3H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide?
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 42903610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).