(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C18H20F2N2O4S — CID 24545647

IUPAC(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-11(13-4-9-16(19)17(20)10-13)21-18(23)12(2)22-27(24,25)15-7-5-14(26-3)6-8-15/h4-12,22H,1-3H3,(H,21,23)/t11?,12-/m0/s1
InChIKeyRSQNKMQEAVBFAK-KIYNQFGBSA-N
MW398.43 g/mol
LogP2.52
Rot. Bonds7

About (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 24545647) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID24545647
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC Name(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-11(13-4-9-16(19)17(20)10-13)21-18(23)12(2)22-27(24,25)15-7-5-14(26-3)6-8-15/h4-12,22H,1-3H3,(H,21,23)/t11?,12-/m0/s1
InChIKeyRSQNKMQEAVBFAK-KIYNQFGBSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30404026
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124549862
N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3943319
(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28549425
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 24545647) is (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is RSQNKMQEAVBFAK-KIYNQFGBSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-11(13-4-9-16(19)17(20)10-13)21-18(23)12(2)22-27(24,25)15-7-5-14(26-3)6-8-15/h4-12,22H,1-3H3,(H,21,23)/t11?,12-/m0/s1.
What are the key properties of (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 398.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24545647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).