(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide

C19H21ClF2N2O5S2 — CID 25498905

IUPAC(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)ccc1OC(F)F
InChIInChI=1S/C19H21ClF2N2O5S2/c1-28-15-11-12(4-5-14(15)29-19(21)22)8-9-23-18(25)13-3-2-10-24(13)31(26,27)17-7-6-16(20)30-17/h4-7,11,13,19H,2-3,8-10H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyBNUMYKUHAMJFJF-CYBMUJFWSA-N
MW494.97 g/mol
LogP3.52
Rot. Bonds9

About (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 25498905) has the molecular formula C19H21ClF2N2O5S2 and a molecular weight of 494.97 g/mol. Its IUPAC name is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID25498905
Molecular FormulaC19H21ClF2N2O5S2
Molecular Weight494.97 g/mol
Exact Mass494.05
IUPAC Name(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)ccc1OC(F)F
InChIInChI=1S/C19H21ClF2N2O5S2/c1-28-15-11-12(4-5-14(15)29-19(21)22)8-9-23-18(25)13-3-2-10-24(13)31(26,27)17-7-6-16(20)30-17/h4-7,11,13,19H,2-3,8-10H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyBNUMYKUHAMJFJF-CYBMUJFWSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.97
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24663628
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877
1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
CID 24663293
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534697
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 118467207
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 25496985
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 41398144
1-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]azetidine-2-carboxamide
CID 86776230
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51241320
N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438041
(2S)-N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 118413784
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 118413736

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide (CID 25498905) is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide is COc1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)ccc1OC(F)F.
What is the InChIKey of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BNUMYKUHAMJFJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClF2N2O5S2/c1-28-15-11-12(4-5-14(15)29-19(21)22)8-9-23-18(25)13-3-2-10-24(13)31(26,27)17-7-6-16(20)30-17/h4-7,11,13,19H,2-3,8-10H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 494.97 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25498905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).