N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide

C23H21ClN2O5S — CID 24667859

IUPACN-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)c1
InChIInChI=1S/C23H21ClN2O5S/c1-31-14-15-5-3-6-16(11-15)22(27)25-18-9-10-21(20(24)13-18)26-23(28)17-7-4-8-19(12-17)32(2,29)30/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYGLVNVPYLSVUFW-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.39
Rot. Bonds7

About N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide

N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide (PubChem CID 24667859) has the molecular formula C23H21ClN2O5S and a molecular weight of 472.95 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
PubChem CID24667859
Molecular FormulaC23H21ClN2O5S
Molecular Weight472.95 g/mol
Exact Mass472.09
IUPAC NameN-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)c1
InChIInChI=1S/C23H21ClN2O5S/c1-31-14-15-5-3-6-16(11-15)22(27)25-18-9-10-21(20(24)13-18)26-23(28)17-7-4-8-19(12-17)32(2,29)30/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYGLVNVPYLSVUFW-UHFFFAOYSA-N
XLogP4.39
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
N-[2-chloro-4-(4-methylpentanoylamino)phenyl]-3-methylsulfonylbenzamide
CID 25471452
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
CID 24667735
N-[2-chloro-4-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667870
N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
CID 24667783
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-[2-chloro-4-[2-(4-methylphenoxy)propanoylamino]phenyl]-3-methylsulfonylbenzamide
CID 24667792
N-[2-chloro-4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667824
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24668370
N-[2-chloro-4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667823
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide (CID 24667859) is N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)c1.
What is the InChIKey of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide?
The InChIKey is YGLVNVPYLSVUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5S/c1-31-14-15-5-3-6-16(11-15)22(27)25-18-9-10-21(20(24)13-18)26-23(28)17-7-4-8-19(12-17)32(2,29)30/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide?
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide has a molecular weight of 472.95 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 24667859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).