N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide

C23H30N2O3S2 — CID 2489912

IUPACN-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C
InChIInChI=1S/C23H30N2O3S2/c1-5-9-24(13-16-6-7-16)20(27)14-25-21(12-19(26)23(2,3)4)30-18(22(25)28)11-17-8-10-29-15-17/h8,10-12,15-16H,5-7,9,13-14H2,1-4H3/b18-11+,21-12-
InChIKeyUAPOKINDOGFJEG-UAKNDLSBSA-N
MW446.64 g/mol
LogP2.84
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide

N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide (PubChem CID 2489912) has the molecular formula C23H30N2O3S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
PubChem CID2489912
Molecular FormulaC23H30N2O3S2
Molecular Weight446.64 g/mol
Exact Mass446.17
IUPAC NameN-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C
InChIInChI=1S/C23H30N2O3S2/c1-5-9-24(13-16-6-7-16)20(27)14-25-21(12-19(26)23(2,3)4)30-18(22(25)28)11-17-8-10-29-15-17/h8,10-12,15-16H,5-7,9,13-14H2,1-4H3/b18-11+,21-12-
InChIKeyUAPOKINDOGFJEG-UAKNDLSBSA-N
XLogP2.84
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide (CID 2489912) is N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide is CCCN(CC1CC1)C(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The InChIKey is UAPOKINDOGFJEG-UAKNDLSBSA-N. The full InChI is InChI=1S/C23H30N2O3S2/c1-5-9-24(13-16-6-7-16)20(27)14-25-21(12-19(26)23(2,3)4)30-18(22(25)28)11-17-8-10-29-15-17/h8,10-12,15-16H,5-7,9,13-14H2,1-4H3/b18-11+,21-12-.
What are the key properties of N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide has a molecular weight of 446.64 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide is sourced from PubChem (CID 2489912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).