4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide

C19H25NO3S2 — CID 55433085

IUPAC4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1CC
InChIInChI=1S/C19H25NO3S2/c1-5-7-17-14(6-2)12-18(24-17)19(21)20-13(3)15-8-10-16(11-9-15)25(4,22)23/h8-13H,5-7H2,1-4H3,(H,20,21)
InChIKeyWHQYQSUYFWDAJE-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.16
Rot. Bonds7

About 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide

4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide (PubChem CID 55433085) has the molecular formula C19H25NO3S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
PubChem CID55433085
Molecular FormulaC19H25NO3S2
Molecular Weight379.55 g/mol
Exact Mass379.13
IUPAC Name4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1CC
InChIInChI=1S/C19H25NO3S2/c1-5-7-17-14(6-2)12-18(24-17)19(21)20-13(3)15-8-10-16(11-9-15)25(4,22)23/h8-13H,5-7H2,1-4H3,(H,20,21)
InChIKeyWHQYQSUYFWDAJE-UHFFFAOYSA-N
XLogP4.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 55333294
5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
1,3-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 41448100
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
5-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 51247196
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 97098923
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide
CID 55389618
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide (CID 55433085) is 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1CC.
What is the InChIKey of 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide?
The InChIKey is WHQYQSUYFWDAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S2/c1-5-7-17-14(6-2)12-18(24-17)19(21)20-13(3)15-8-10-16(11-9-15)25(4,22)23/h8-13H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 55433085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).