(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C18H20ClFN2O4S — CID 30404026

IUPAC(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H20ClFN2O4S/c1-11(13-4-6-14(20)7-5-13)21-18(23)12(2)22-27(24,25)15-8-9-17(26-3)16(19)10-15/h4-12,22H,1-3H3,(H,21,23)/t11-,12-/m1/s1
InChIKeyIMPVZTOWFFBNBF-VXGBXAGGSA-N
MW414.89 g/mol
LogP3.03
Rot. Bonds7

About (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 30404026) has the molecular formula C18H20ClFN2O4S and a molecular weight of 414.89 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID30404026
Molecular FormulaC18H20ClFN2O4S
Molecular Weight414.89 g/mol
Exact Mass414.08
IUPAC Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H20ClFN2O4S/c1-11(13-4-6-14(20)7-5-13)21-18(23)12(2)22-27(24,25)15-8-9-17(26-3)16(19)10-15/h4-12,22H,1-3H3,(H,21,23)/t11-,12-/m1/s1
InChIKeyIMPVZTOWFFBNBF-VXGBXAGGSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 43906642
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28539576
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 94860943
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30403931
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 92680004
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chlorophenyl)propanamide
CID 3885405
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 30404026) is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IMPVZTOWFFBNBF-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S/c1-11(13-4-6-14(20)7-5-13)21-18(23)12(2)22-27(24,25)15-8-9-17(26-3)16(19)10-15/h4-12,22H,1-3H3,(H,21,23)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 414.89 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 30404026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).