(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

C17H18Cl2N2O5S — CID 41302643

IUPAC(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C17H18Cl2N2O5S/c1-10(17(22)20-13-7-11(18)6-12(19)8-13)21-27(23,24)14-4-5-15(25-2)16(9-14)26-3/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyBNEOPQKQPCSGCN-JTQLQIEISA-N
MW433.31 g/mol
LogP3.32
Rot. Bonds7

About (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 41302643) has the molecular formula C17H18Cl2N2O5S and a molecular weight of 433.31 g/mol. Its IUPAC name is (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID41302643
Molecular FormulaC17H18Cl2N2O5S
Molecular Weight433.31 g/mol
Exact Mass432.03
IUPAC Name(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C17H18Cl2N2O5S/c1-10(17(22)20-13-7-11(18)6-12(19)8-13)21-27(23,24)14-4-5-15(25-2)16(9-14)26-3/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyBNEOPQKQPCSGCN-JTQLQIEISA-N
XLogP3.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 3958242
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 28549200
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 5034274
(2R)-N-(2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339684
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2R)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339682
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chlorophenyl)propanamide
CID 3885405
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 41302643) is (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC.
What is the InChIKey of (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is BNEOPQKQPCSGCN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18Cl2N2O5S/c1-10(17(22)20-13-7-11(18)6-12(19)8-13)21-27(23,24)14-4-5-15(25-2)16(9-14)26-3/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 433.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 41302643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).