N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C23H24N2O3S — CID 32590507

IUPACN-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccc(C)cc2)C2CC2)ccc1OCc1cscn1
InChIInChI=1S/C23H24N2O3S/c1-16-3-5-17(6-4-16)12-25(20-8-9-20)23(26)18-7-10-21(22(11-18)27-2)28-13-19-14-29-15-24-19/h3-7,10-11,14-15,20H,8-9,12-13H2,1-2H3
InChIKeyWNBRKAVPGJYNJP-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.84
Rot. Bonds8

About N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 32590507) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID32590507
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccc(C)cc2)C2CC2)ccc1OCc1cscn1
InChIInChI=1S/C23H24N2O3S/c1-16-3-5-17(6-4-16)12-25(20-8-9-20)23(26)18-7-10-21(22(11-18)27-2)28-13-19-14-29-15-24-19/h3-7,10-11,14-15,20H,8-9,12-13H2,1-2H3
InChIKeyWNBRKAVPGJYNJP-UHFFFAOYSA-N
XLogP4.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-ethyl-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134043401
3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119444457
[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 39696938
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842603
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 32590507) is N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)N(Cc2ccc(C)cc2)C2CC2)ccc1OCc1cscn1.
What is the InChIKey of N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is WNBRKAVPGJYNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-3-5-17(6-4-16)12-25(20-8-9-20)23(26)18-7-10-21(22(11-18)27-2)28-13-19-14-29-15-24-19/h3-7,10-11,14-15,20H,8-9,12-13H2,1-2H3.
What are the key properties of N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 32590507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).