(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide

C18H21ClN2O5S — CID 40932030

IUPAC(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O5S/c1-12(18(22)20-11-13-4-7-15(25-2)8-5-13)21-27(23,24)17-10-14(19)6-9-16(17)26-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyXKRPCTPDIMTFDV-LBPRGKRZSA-N
MW412.90 g/mol
LogP2.34
Rot. Bonds8

About (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 40932030) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID40932030
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O5S/c1-12(18(22)20-11-13-4-7-15(25-2)8-5-13)21-27(23,24)17-10-14(19)6-9-16(17)26-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyXKRPCTPDIMTFDV-LBPRGKRZSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide
CID 6493576
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 56728698
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28542536
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 126393592
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7291407
methyl 3-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate
CID 3778391
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 126394209
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 40932030) is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is XKRPCTPDIMTFDV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-12(18(22)20-11-13-4-7-15(25-2)8-5-13)21-27(23,24)17-10-14(19)6-9-16(17)26-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 412.90 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 40932030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).