(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide

C18H28N4O3S — CID 129398248

IUPAC(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H28N4O3S/c1-14(2)17-13-20(3)10-11-21(17)18(23)19-15-5-7-16(8-6-15)22-9-4-12-26(22,24)25/h5-8,14,17H,4,9-13H2,1-3H3,(H,19,23)/t17-/m1/s1
InChIKeyWEFVCCWAODSXOY-QGZVFWFLSA-N
MW380.51 g/mol
LogP2.03
Rot. Bonds3

About (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide

(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 129398248) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID129398248
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H28N4O3S/c1-14(2)17-13-20(3)10-11-21(17)18(23)19-15-5-7-16(8-6-15)22-9-4-12-26(22,24)25/h5-8,14,17H,4,9-13H2,1-3H3,(H,19,23)/t17-/m1/s1
InChIKeyWEFVCCWAODSXOY-QGZVFWFLSA-N
XLogP2.03
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7424208
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4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
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CID 110303619
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CID 51318715
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CID 56552807
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CID 7627477
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CID 56807907
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide (CID 129398248) is (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide is CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is WEFVCCWAODSXOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-14(2)17-13-20(3)10-11-21(17)18(23)19-15-5-7-16(8-6-15)22-9-4-12-26(22,24)25/h5-8,14,17H,4,9-13H2,1-3H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide?
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 129398248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).