4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C16H21N3OS — CID 61104686

IUPAC4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C16H21N3OS/c1-4-21-15-8-6-5-7-13(15)18-16(20)14-9-12(17)10-19(14)11(2)3/h5-11H,4,17H2,1-3H3,(H,18,20)
InChIKeyWYFXRZJEYNTCJR-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.02
Rot. Bonds5

About 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61104686) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61104686
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C16H21N3OS/c1-4-21-15-8-6-5-7-13(15)18-16(20)14-9-12(17)10-19(14)11(2)3/h5-11H,4,17H2,1-3H3,(H,18,20)
InChIKeyWYFXRZJEYNTCJR-UHFFFAOYSA-N
XLogP4.02
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
CID 131920585
4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
CID 61116942
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107624248
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642946
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 61104686) is 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is CCSc1ccccc1NC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is WYFXRZJEYNTCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-21-15-8-6-5-7-13(15)18-16(20)14-9-12(17)10-19(14)11(2)3/h5-11H,4,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61104686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).