N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide

C29H27ClN2O6S — CID 43870836

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC
InChIInChI=1S/C29H27ClN2O6S/c1-36-27-16-14-23(19-28(27)37-2)39(34,35)32-25(17-20-9-5-3-6-10-20)29(33)31-24-18-21(30)13-15-26(24)38-22-11-7-4-8-12-22/h3-16,18-19,25,32H,17H2,1-2H3,(H,31,33)
InChIKeyBKRYXNGRHFBOKD-UHFFFAOYSA-N
MW567.06 g/mol
LogP5.68
Rot. Bonds11

About N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43870836) has the molecular formula C29H27ClN2O6S and a molecular weight of 567.06 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43870836
Molecular FormulaC29H27ClN2O6S
Molecular Weight567.06 g/mol
Exact Mass566.13
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC
InChIInChI=1S/C29H27ClN2O6S/c1-36-27-16-14-23(19-28(27)37-2)39(34,35)32-25(17-20-9-5-3-6-10-20)29(33)31-24-18-21(30)13-15-26(24)38-22-11-7-4-8-12-22/h3-16,18-19,25,32H,17H2,1-2H3,(H,31,33)
InChIKeyBKRYXNGRHFBOKD-UHFFFAOYSA-N
XLogP5.68
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.06
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 43870985
N-(5-chloro-2-phenoxyphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871422
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870849
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-phenoxyphenyl)-3-phenylpropanamide
CID 94861057
(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432
(2R)-N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538824
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 28539179
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28538818
(2S)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538504
(2R)-N-(4-chloro-2-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541793
(2R)-N-(2,6-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538422
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94860915

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43870836) is N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is BKRYXNGRHFBOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O6S/c1-36-27-16-14-23(19-28(27)37-2)39(34,35)32-25(17-20-9-5-3-6-10-20)29(33)31-24-18-21(30)13-15-26(24)38-22-11-7-4-8-12-22/h3-16,18-19,25,32H,17H2,1-2H3,(H,31,33).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 567.06 g/mol, XLogP of 5.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43870836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).