(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide

C14H14ClNO5S2 — CID 94187653

IUPAC(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClNO5S2/c1-9(21-11-5-3-10(20-2)4-6-11)14(17)16-23(18,19)13-8-7-12(15)22-13/h3-9H,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyKSLRACHHRLWQPA-SECBINFHSA-N
MW375.86 g/mol
LogP2.68
Rot. Bonds6

About (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide

(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide (PubChem CID 94187653) has the molecular formula C14H14ClNO5S2 and a molecular weight of 375.86 g/mol. Its IUPAC name is (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide
PubChem CID94187653
Molecular FormulaC14H14ClNO5S2
Molecular Weight375.86 g/mol
Exact Mass375.00
IUPAC Name(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClNO5S2/c1-9(21-11-5-3-10(20-2)4-6-11)14(17)16-23(18,19)13-8-7-12(15)22-13/h3-9H,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyKSLRACHHRLWQPA-SECBINFHSA-N
XLogP2.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 38322913
5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 22500888
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide (CID 94187653) is (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@H](C)C(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide?
The InChIKey is KSLRACHHRLWQPA-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClNO5S2/c1-9(21-11-5-3-10(20-2)4-6-11)14(17)16-23(18,19)13-8-7-12(15)22-13/h3-9H,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide?
(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide has a molecular weight of 375.86 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 94187653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).