N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C21H22N2O2S2 — CID 18098002

IUPACN-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H22N2O2S2/c1-22(15-17-8-5-13-26-17)20(24)19-14-18(16-6-3-2-4-7-16)21(27-19)23-9-11-25-12-10-23/h2-8,13-14H,9-12,15H2,1H3
InChIKeyVHWFBZBEEUOQIB-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.59
Rot. Bonds5

About N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 18098002) has the molecular formula C21H22N2O2S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID18098002
Molecular FormulaC21H22N2O2S2
Molecular Weight398.55 g/mol
Exact Mass398.11
IUPAC NameN-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H22N2O2S2/c1-22(15-17-8-5-13-26-17)20(24)19-14-18(16-6-3-2-4-7-16)21(27-19)23-9-11-25-12-10-23/h2-8,13-14H,9-12,15H2,1H3
InChIKeyVHWFBZBEEUOQIB-UHFFFAOYSA-N
XLogP4.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 18098002) is N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VHWFBZBEEUOQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S2/c1-22(15-17-8-5-13-26-17)20(24)19-14-18(16-6-3-2-4-7-16)21(27-19)23-9-11-25-12-10-23/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-yl-4-phenyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18098002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).