N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

C22H24N2O2S2 — CID 31786095

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2c(-n3cccc3)sc3c2CCSC3)c1
InChIInChI=1S/C22H24N2O2S2/c1-16-6-5-7-17(14-16)26-12-11-23(2)21(25)20-18-8-13-27-15-19(18)28-22(20)24-9-3-4-10-24/h3-7,9-10,14H,8,11-13,15H2,1-2H3
InChIKeyVYILCDCVYNJXRX-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.79
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (PubChem CID 31786095) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
PubChem CID31786095
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2c(-n3cccc3)sc3c2CCSC3)c1
InChIInChI=1S/C22H24N2O2S2/c1-16-6-5-7-17(14-16)26-12-11-23(2)21(25)20-18-8-13-27-15-19(18)28-22(20)24-9-3-4-10-24/h3-7,9-10,14H,8,11-13,15H2,1-2H3
InChIKeyVYILCDCVYNJXRX-UHFFFAOYSA-N
XLogP4.79
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
CID 79987863
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 134031079
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869844
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847742

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (CID 31786095) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is Cc1cccc(OCCN(C)C(=O)c2c(-n3cccc3)sc3c2CCSC3)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The InChIKey is VYILCDCVYNJXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-16-6-5-7-17(14-16)26-12-11-23(2)21(25)20-18-8-13-27-15-19(18)28-22(20)24-9-3-4-10-24/h3-7,9-10,14H,8,11-13,15H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is sourced from PubChem (CID 31786095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).