N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C19H26N4O3S — CID 51953858

IUPACN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1
InChIInChI=1S/C19H26N4O3S/c1-14(13-22-16(3)10-15(2)21-22)12-20-19(24)17-6-4-7-18(11-17)23-8-5-9-27(23,25)26/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyBOTGMBBWZWZDPA-CQSZACIVSA-N
MW390.51 g/mol
LogP2.11
Rot. Bonds6

About N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 51953858) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID51953858
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1
InChIInChI=1S/C19H26N4O3S/c1-14(13-22-16(3)10-15(2)21-22)12-20-19(24)17-6-4-7-18(11-17)23-8-5-9-27(23,25)26/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyBOTGMBBWZWZDPA-CQSZACIVSA-N
XLogP2.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301682
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 51953886
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 51953858) is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1.
What is the InChIKey of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is BOTGMBBWZWZDPA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14(13-22-16(3)10-15(2)21-22)12-20-19(24)17-6-4-7-18(11-17)23-8-5-9-27(23,25)26/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 51953858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).