N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C22H26N2O5S — CID 42953424

IUPACN-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)N(Cc3cccs3)C3CC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5S/c1-27-18-10-16(11-19(28-2)21(18)29-3)23-12-14(9-20(23)25)22(26)24(15-6-7-15)13-17-5-4-8-30-17/h4-5,8,10-11,14-15H,6-7,9,12-13H2,1-3H3
InChIKeyJIQJYZTZJNTDKH-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.32
Rot. Bonds8

About N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42953424) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42953424
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)N(Cc3cccs3)C3CC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5S/c1-27-18-10-16(11-19(28-2)21(18)29-3)23-12-14(9-20(23)25)22(26)24(15-6-7-15)13-17-5-4-8-30-17/h4-5,8,10-11,14-15H,6-7,9,12-13H2,1-3H3
InChIKeyJIQJYZTZJNTDKH-UHFFFAOYSA-N
XLogP3.32
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46450259
N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43056773
2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119346110
(4R)-N-cyclopropyl-1-methyl-2-oxo-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 94045823
3-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119362275
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55556697
(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 39992942
3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 56510635
1-(3-bromophenyl)-N-(oxan-4-yl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 90610938
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55585273

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 42953424) is N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)N(Cc3cccs3)C3CC3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is JIQJYZTZJNTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-27-18-10-16(11-19(28-2)21(18)29-3)23-12-14(9-20(23)25)22(26)24(15-6-7-15)13-17-5-4-8-30-17/h4-5,8,10-11,14-15H,6-7,9,12-13H2,1-3H3.
What are the key properties of N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42953424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).