1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea

C16H19N3O4S2 — CID 71908243

IUPAC1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea
SMILESCOc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(C)s3)C2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-11-3-8-15(24-11)18-16(20)17-12-9-19(10-12)25(21,22)14-6-4-13(23-2)5-7-14/h3-8,12H,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyNYOWBJYFFBHONK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.26
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea

1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea (PubChem CID 71908243) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea
PubChem CID71908243
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea
SMILESCOc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(C)s3)C2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-11-3-8-15(24-11)18-16(20)17-12-9-19(10-12)25(21,22)14-6-4-13(23-2)5-7-14/h3-8,12H,9-10H2,1-2H3,(H2,17,18,20)
InChIKeyNYOWBJYFFBHONK-UHFFFAOYSA-N
XLogP2.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-2-propan-2-yloxyphenyl)-3-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]urea
CID 75397382
N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine
CID 99833771
1-butan-2-yl-3-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]urea
CID 50847793
methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24509343
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
CID 94638463
2-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681809
1-[8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylurea
CID 644582
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
(E)-3-[4-(cyanomethoxy)phenyl]-N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]prop-2-enamide
CID 75392291

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea (CID 71908243) is 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea is COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(C)s3)C2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea?
The InChIKey is NYOWBJYFFBHONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11-3-8-15(24-11)18-16(20)17-12-9-19(10-12)25(21,22)14-6-4-13(23-2)5-7-14/h3-8,12H,9-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea?
1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea has a molecular weight of 381.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-3-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 71908243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).