N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide

C14H16N2O2S — CID 99774230

IUPACN-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESC[S@@](=O)CCNC(=O)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2O2S/c1-19(18)10-9-15-14(17)13-8-7-12(16-13)11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3,(H,15,17)/t19-/m1/s1
InChIKeyDUFPFTUJJHHGLT-LJQANCHMSA-N
MW276.36 g/mol
LogP1.79
Rot. Bonds5

About N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide

N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 99774230) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID99774230
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESC[S@@](=O)CCNC(=O)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2O2S/c1-19(18)10-9-15-14(17)13-8-7-12(16-13)11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3,(H,15,17)/t19-/m1/s1
InChIKeyDUFPFTUJJHHGLT-LJQANCHMSA-N
XLogP1.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119431690
N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119497081
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 119392506
N-[5-(diaminomethylideneamino)-1-[2-(methanesulfinamido)ethylamino]-1-oxopentan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 145265796
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346
3-methyl-2-[(5-phenyl-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 119170464
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 115633303
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
1-(methylamino)-N-(2-methylsulfinylethyl)isoquinoline-4-carboxamide
CID 106772837
1-chloro-N-(2-methylsulfinylethyl)isoquinoline-3-carboxamide
CID 113276462

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide (CID 99774230) is N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide is C[S@@](=O)CCNC(=O)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is DUFPFTUJJHHGLT-LJQANCHMSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-19(18)10-9-15-14(17)13-8-7-12(16-13)11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3,(H,15,17)/t19-/m1/s1.
What are the key properties of N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 99774230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).