N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide

C19H22N2O3S — CID 96580245

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)oc2c1
InChIInChI=1S/C19H22N2O3S/c1-10-15-8-7-14(23-6)9-16(15)24-18(10)19(22)21(5)11(2)17-12(3)25-13(4)20-17/h7-9,11H,1-6H3/t11-/m0/s1
InChIKeyXADVQGCKMROYPW-NSHDSACASA-N
MW358.46 g/mol
LogP4.66
Rot. Bonds4

About N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 96580245) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID96580245
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)oc2c1
InChIInChI=1S/C19H22N2O3S/c1-10-15-8-7-14(23-6)9-16(15)24-18(10)19(22)21(5)11(2)17-12(3)25-13(4)20-17/h7-9,11H,1-6H3/t11-/m0/s1
InChIKeyXADVQGCKMROYPW-NSHDSACASA-N
XLogP4.66
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 51597039
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120
N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 70725060
4-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 126425178
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 97149577
5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8820536
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea
CID 97456882
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
CID 70722846
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 50985285
(1S)-N-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 42095693
N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 58917970

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 96580245) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)oc2c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is XADVQGCKMROYPW-NSHDSACASA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-10-15-8-7-14(23-6)9-16(15)24-18(10)19(22)21(5)11(2)17-12(3)25-13(4)20-17/h7-9,11H,1-6H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96580245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).