2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide

C14H13N3O4S2 — CID 90952340

IUPAC2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide
SMILESO=NC(C(=O)Nc1nccs1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C14H13N3O4S2/c18-13(16-14-15-7-8-22-14)12(17-19)9-1-3-10(4-2-9)23(20,21)11-5-6-11/h1-4,7-8,11-12H,5-6H2,(H,15,16,18)
InChIKeyORWOLBCXTDMZRQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide

2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 90952340) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide
PubChem CID90952340
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide
SMILESO=NC(C(=O)Nc1nccs1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C14H13N3O4S2/c18-13(16-14-15-7-8-22-14)12(17-19)9-1-3-10(4-2-9)23(20,21)11-5-6-11/h1-4,7-8,11-12H,5-6H2,(H,15,16,18)
InChIKeyORWOLBCXTDMZRQ-UHFFFAOYSA-N
XLogP2.53
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 25013433
2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide
CID 76630210
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 90970313
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-2-oxooxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 91570363
2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 21093988
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
2-(4-cyclopropylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxyimino]-N-(1,3-thiazol-2-yl)acetamide
CID 76631216
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 10309143
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide (CID 90952340) is 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide is O=NC(C(=O)Nc1nccs1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ORWOLBCXTDMZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c18-13(16-14-15-7-8-22-14)12(17-19)9-1-3-10(4-2-9)23(20,21)11-5-6-11/h1-4,7-8,11-12H,5-6H2,(H,15,16,18).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide?
2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-2-nitroso-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90952340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).