4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C24H25N3O5S — CID 126507920

IUPAC4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCC4CC4)c(OC)c3)n2)cc1
InChIInChI=1S/C24H25N3O5S/c1-30-18-8-5-16(6-9-18)19-14-33-24(26-19)27-23(29)17-7-10-20(21(11-17)31-2)32-13-22(28)25-12-15-3-4-15/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyDZEXNYOAWXDBRQ-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.98
Rot. Bonds10

About 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 126507920) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID126507920
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCC4CC4)c(OC)c3)n2)cc1
InChIInChI=1S/C24H25N3O5S/c1-30-18-8-5-16(6-9-18)19-14-33-24(26-19)27-23(29)17-7-10-20(21(11-17)31-2)32-13-22(28)25-12-15-3-4-15/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyDZEXNYOAWXDBRQ-UHFFFAOYSA-N
XLogP3.98
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 126537956
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
methyl 5-[2-methoxy-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]-4-oxopentanoate
CID 153156092
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-oxo-4-phenylbutoxy)benzamide
CID 161354696
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 126537954
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
4-ethoxy-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 18285465
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776175
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide
CID 118716727

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 126507920) is 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCC4CC4)c(OC)c3)n2)cc1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DZEXNYOAWXDBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-30-18-8-5-16(6-9-18)19-14-33-24(26-19)27-23(29)17-7-10-20(21(11-17)31-2)32-13-22(28)25-12-15-3-4-15/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,25,28)(H,26,27,29).
What are the key properties of 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 126507920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).