(2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide

C22H29N3O4S — CID 95102089

IUPAC(2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(NC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C22H29N3O4S/c1-14-6-7-17(13-15(14)2)20-16(3)21(24-30(20,27)28)25-10-8-18(9-11-25)23-22(26)19-5-4-12-29-19/h6-7,13,18-19H,4-5,8-12H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyMMDTXWCNUKNQFV-IBGZPJMESA-N
MW431.56 g/mol
LogP2.54
Rot. Bonds3

About (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide

(2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 95102089) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
PubChem CID95102089
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name(2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(NC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C22H29N3O4S/c1-14-6-7-17(13-15(14)2)20-16(3)21(24-30(20,27)28)25-10-8-18(9-11-25)23-22(26)19-5-4-12-29-19/h6-7,13,18-19H,4-5,8-12H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyMMDTXWCNUKNQFV-IBGZPJMESA-N
XLogP2.54
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 53171399
N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-2-carboxamide
CID 53171431
1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20887317
N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 53171415
1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187057
1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187044
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 53171326
(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
CID 95102098
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-phenylpropanamide
CID 53171349
1-butan-2-yl-3-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187039
(2S)-N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27233014

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide (CID 95102089) is (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide is CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(NC(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is MMDTXWCNUKNQFV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-14-6-7-17(13-15(14)2)20-16(3)21(24-30(20,27)28)25-10-8-18(9-11-25)23-22(26)19-5-4-12-29-19/h6-7,13,18-19H,4-5,8-12H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
(2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 95102089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).