N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide

C16H19N3O4S2 — CID 89238361

IUPACN-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCCN(S(=O)(=O)c2ccc(-c3ccno3)s2)C1
InChIInChI=1S/C16H19N3O4S2/c1-2-15(20)18-12-5-3-4-10-19(11-12)25(21,22)16-7-6-14(24-16)13-8-9-17-23-13/h2,6-9,12H,1,3-5,10-11H2,(H,18,20)
InChIKeyIRFCWYHVLRTMBN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.25
Rot. Bonds5

About N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide

N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide (PubChem CID 89238361) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide
PubChem CID89238361
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCCN(S(=O)(=O)c2ccc(-c3ccno3)s2)C1
InChIInChI=1S/C16H19N3O4S2/c1-2-15(20)18-12-5-3-4-10-19(11-12)25(21,22)16-7-6-14(24-16)13-8-9-17-23-13/h2,6-9,12H,1,3-5,10-11H2,(H,18,20)
InChIKeyIRFCWYHVLRTMBN-UHFFFAOYSA-N
XLogP2.25
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89236149
5-[5-(3-pyridin-4-ylazetidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 56891247
N-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]azepan-3-yl]prop-2-enamide
CID 89236153
N-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]azepan-3-yl]prop-2-enamide
CID 89236222
N-[5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238337
N-[[1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89236667
N-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89237996
N-[2,2,6,6-tetramethyl-1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237216
N-methyl-N-[4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
CID 89239014
N-[3-[methyl-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]propyl]prop-2-enamide
CID 89236259
(2S,6R)-2-cyclopropyl-4-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6-phenylmorpholine
CID 155916573
N-[4-[3-(prop-2-enoylamino)azepan-1-yl]sulfonylphenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 89235912

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide?
The IUPAC name of N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide (CID 89238361) is N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide is C=CC(=O)NC1CCCCN(S(=O)(=O)c2ccc(-c3ccno3)s2)C1.
What is the InChIKey of N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide?
The InChIKey is IRFCWYHVLRTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-2-15(20)18-12-5-3-4-10-19(11-12)25(21,22)16-7-6-14(24-16)13-8-9-17-23-13/h2,6-9,12H,1,3-5,10-11H2,(H,18,20).
What are the key properties of N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide?
N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide is sourced from PubChem (CID 89238361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).