N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide

C21H27NO3S — CID 55581078

IUPACN-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1OCCC
InChIInChI=1S/C21H27NO3S/c1-3-11-24-19-10-7-16(14-20(19)25-12-4-2)21(23)22(17-8-9-17)15-18-6-5-13-26-18/h5-7,10,13-14,17H,3-4,8-9,11-12,15H2,1-2H3
InChIKeyORIBVCAHYITOBY-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.13
Rot. Bonds10

About N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide

N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55581078) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55581078
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC NameN-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCOc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1OCCC
InChIInChI=1S/C21H27NO3S/c1-3-11-24-19-10-7-16(14-20(19)25-12-4-2)21(23)22(17-8-9-17)15-18-6-5-13-26-18/h5-7,10,13-14,17H,3-4,8-9,11-12,15H2,1-2H3
InChIKeyORIBVCAHYITOBY-UHFFFAOYSA-N
XLogP5.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62242780
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134004580
N-cyclopropyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461213

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide (CID 55581078) is N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide is CCCOc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1OCCC.
What is the InChIKey of N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ORIBVCAHYITOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-3-11-24-19-10-7-16(14-20(19)25-12-4-2)21(23)22(17-8-9-17)15-18-6-5-13-26-18/h5-7,10,13-14,17H,3-4,8-9,11-12,15H2,1-2H3.
What are the key properties of N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide?
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 373.52 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55581078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).