(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide

C19H23ClF2N4O5S — CID 42502193

IUPAC(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1
InChIInChI=1S/C19H23ClF2N4O5S/c1-11-17(13(3)31-24-11)32(28,29)26-8-6-25(7-9-26)12(2)18(27)23-14-4-5-16(15(20)10-14)30-19(21)22/h4-5,10,12,19H,6-9H2,1-3H3,(H,23,27)/t12-/m0/s1
InChIKeyPWVATHNTMFFMMA-LBPRGKRZSA-N
MW492.93 g/mol
LogP2.88
Rot. Bonds7

About (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide

(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide (PubChem CID 42502193) has the molecular formula C19H23ClF2N4O5S and a molecular weight of 492.93 g/mol. Its IUPAC name is (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide
PubChem CID42502193
Molecular FormulaC19H23ClF2N4O5S
Molecular Weight492.93 g/mol
Exact Mass492.10
IUPAC Name(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1
InChIInChI=1S/C19H23ClF2N4O5S/c1-11-17(13(3)31-24-11)32(28,29)26-8-6-25(7-9-26)12(2)18(27)23-14-4-5-16(15(20)10-14)30-19(21)22/h4-5,10,12,19H,6-9H2,1-3H3,(H,23,27)/t12-/m0/s1
InChIKeyPWVATHNTMFFMMA-LBPRGKRZSA-N
XLogP2.88
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 39995903
(2S)-N-(3,5-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]propanamide
CID 41231745
N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]propanamide
CID 24541311
N-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 55436535
(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 41436170
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42947731
methyl 2-(2-chlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetate
CID 24602989
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39135194
(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496
N-(3-chloro-4-methylphenyl)-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69149344
N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26715661

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide (CID 42502193) is (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide is Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1.
What is the InChIKey of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide?
The InChIKey is PWVATHNTMFFMMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23ClF2N4O5S/c1-11-17(13(3)31-24-11)32(28,29)26-8-6-25(7-9-26)12(2)18(27)23-14-4-5-16(15(20)10-14)30-19(21)22/h4-5,10,12,19H,6-9H2,1-3H3,(H,23,27)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide?
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide has a molecular weight of 492.93 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 42502193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).