3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide

C26H29N3O5S — CID 55933309

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)ccc1OCc1ccncc1
InChIInChI=1S/C26H29N3O5S/c1-18(21-8-9-24(25(15-21)33-2)34-17-20-10-12-27-13-11-20)29-26(30)22-4-3-5-23(14-22)35(31,32)28-16-19-6-7-19/h3-5,8-15,18-19,28H,6-7,16-17H2,1-2H3,(H,29,30)
InChIKeyDYEHNXKRZLFLJP-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.85
Rot. Bonds11

About 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide

3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55933309) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55933309
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)ccc1OCc1ccncc1
InChIInChI=1S/C26H29N3O5S/c1-18(21-8-9-24(25(15-21)33-2)34-17-20-10-12-27-13-11-20)29-26(30)22-4-3-5-23(14-22)35(31,32)28-16-19-6-7-19/h3-5,8-15,18-19,28H,6-7,16-17H2,1-2H3,(H,29,30)
InChIKeyDYEHNXKRZLFLJP-UHFFFAOYSA-N
XLogP3.85
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55806616
2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55807945
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806619
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
4-bromo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55932540
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 47067149
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933705

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide (CID 55933309) is 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide is COc1cc(C(C)NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)ccc1OCc1ccncc1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is DYEHNXKRZLFLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18(21-8-9-24(25(15-21)33-2)34-17-20-10-12-27-13-11-20)29-26(30)22-4-3-5-23(14-22)35(31,32)28-16-19-6-7-19/h3-5,8-15,18-19,28H,6-7,16-17H2,1-2H3,(H,29,30).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide?
3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 495.60 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55933309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).