2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide

C18H21ClN2O5S — CID 93487152

IUPAC2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O5S/c1-12(11-26-15-7-5-14(25-2)6-8-15)20-18(22)16-10-13(4-9-17(16)19)21-27(3,23)24/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyOMEMPKNULFUYKX-GFCCVEGCSA-N
MW412.90 g/mol
LogP2.92
Rot. Bonds8

About 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide

2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (PubChem CID 93487152) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
PubChem CID93487152
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O5S/c1-12(11-26-15-7-5-14(25-2)6-8-15)20-18(22)16-10-13(4-9-17(16)19)21-27(3,23)24/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyOMEMPKNULFUYKX-GFCCVEGCSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 92647091
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CID 38000460
2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43915949
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
CID 46764359
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
ethyl 2-chloro-5-[[(2S)-1-(4-methoxyphenoxy)propan-2-yl]carbamothioylamino]benzoate
CID 100580396
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The IUPAC name of 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (CID 93487152) is 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is COc1ccc(OC[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The InChIKey is OMEMPKNULFUYKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-12(11-26-15-7-5-14(25-2)6-8-15)20-18(22)16-10-13(4-9-17(16)19)21-27(3,23)24/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide has a molecular weight of 412.90 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 93487152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).