N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide

C24H27N3O4S — CID 121397310

IUPACN-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C24H27N3O4S/c1-15-13-26-24(32-15)19-10-18(11-21(12-19)31-20-6-8-30-9-7-20)23(28)27-16(2)17-4-5-22(29-3)25-14-17/h4-5,10-14,16,20H,6-9H2,1-3H3,(H,27,28)/t16-/m1/s1
InChIKeyHOSIWEZQKWEZJW-MRXNPFEDSA-N
MW453.56 g/mol
LogP4.57
Rot. Bonds7

About N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide

N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide (PubChem CID 121397310) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
PubChem CID121397310
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)cn1
InChIInChI=1S/C24H27N3O4S/c1-15-13-26-24(32-15)19-10-18(11-21(12-19)31-20-6-8-30-9-7-20)23(28)27-16(2)17-4-5-22(29-3)25-14-17/h4-5,10-14,16,20H,6-9H2,1-3H3,(H,27,28)/t16-/m1/s1
InChIKeyHOSIWEZQKWEZJW-MRXNPFEDSA-N
XLogP4.57
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The IUPAC name of N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide (CID 121397310) is N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide.
What is the SMILES notation for N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The canonical SMILES for N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide is COc1ccc([C@@H](C)NC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)cn1.
What is the InChIKey of N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The InChIKey is HOSIWEZQKWEZJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-15-13-26-24(32-15)19-10-18(11-21(12-19)31-20-6-8-30-9-7-20)23(28)27-16(2)17-4-5-22(29-3)25-14-17/h4-5,10-14,16,20H,6-9H2,1-3H3,(H,27,28)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide has a molecular weight of 453.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide is sourced from PubChem (CID 121397310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).