N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide

C18H21N3O4S — CID 154866172

IUPACN-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCC(c2ncco2)CC1
InChIInChI=1S/C18H21N3O4S/c22-18(21-10-7-13(8-11-21)17-19-9-12-25-17)15-3-1-2-4-16(15)20-26(23,24)14-5-6-14/h1-4,9,12-14,20H,5-8,10-11H2
InChIKeyRMTPJFPVNKDFBC-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.60
Rot. Bonds5

About N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide

N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide (PubChem CID 154866172) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
PubChem CID154866172
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCC(c2ncco2)CC1
InChIInChI=1S/C18H21N3O4S/c22-18(21-10-7-13(8-11-21)17-19-9-12-25-17)15-3-1-2-4-16(15)20-26(23,24)14-5-6-14/h1-4,9,12-14,20H,5-8,10-11H2
InChIKeyRMTPJFPVNKDFBC-UHFFFAOYSA-N
XLogP2.60
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
CID 166259809
1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
CID 126857975
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
2-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazole
CID 126835098
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
2-[(1,1-dioxothian-4-yl)sulfonylamino]benzoic acid
CID 62084938
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854293
N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55636448
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55371330

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide (CID 154866172) is N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide is O=C(c1ccccc1NS(=O)(=O)C1CC1)N1CCC(c2ncco2)CC1.
What is the InChIKey of N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The InChIKey is RMTPJFPVNKDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(21-10-7-13(8-11-21)17-19-9-12-25-17)15-3-1-2-4-16(15)20-26(23,24)14-5-6-14/h1-4,9,12-14,20H,5-8,10-11H2.
What are the key properties of N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 154866172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).