(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide

C21H29N3O4S2 — CID 95154537

IUPAC(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CSC[C@H]3C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C21H29N3O4S2/c1-15-2-6-18(7-3-15)30(27,28)23-10-8-17(9-11-23)21(26)24-14-29-13-19(24)20(25)22-12-16-4-5-16/h2-3,6-7,16-17,19H,4-5,8-14H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyLVYMGTXAIVYIBT-IBGZPJMESA-N
MW451.61 g/mol
LogP1.82
Rot. Bonds6

About (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95154537) has the molecular formula C21H29N3O4S2 and a molecular weight of 451.61 g/mol. Its IUPAC name is (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95154537
Molecular FormulaC21H29N3O4S2
Molecular Weight451.61 g/mol
Exact Mass451.16
IUPAC Name(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CSC[C@H]3C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C21H29N3O4S2/c1-15-2-6-18(7-3-15)30(27,28)23-10-8-17(9-11-23)21(26)24-14-29-13-19(24)20(25)22-12-16-4-5-16/h2-3,6-7,16-17,19H,4-5,8-14H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyLVYMGTXAIVYIBT-IBGZPJMESA-N
XLogP1.82
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 95152524
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 3787269
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 120943334
1-(1-adamantyl)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]urea
CID 42633447
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
(2R)-N-(4-fluorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 92508644
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 95154537) is (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CSC[C@H]3C(=O)NCC3CC3)CC2)cc1.
What is the InChIKey of (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LVYMGTXAIVYIBT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O4S2/c1-15-2-6-18(7-3-15)30(27,28)23-10-8-17(9-11-23)21(26)24-14-29-13-19(24)20(25)22-12-16-4-5-16/h2-3,6-7,16-17,19H,4-5,8-14H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 451.61 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95154537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).