4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C14H17BrN2OS — CID 61394689

IUPAC4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H17BrN2OS/c1-10(2)17(9-12-5-4-6-19-12)14(18)13-7-11(15)8-16(13)3/h4-8,10H,9H2,1-3H3
InChIKeyHDQKONWRPCATNE-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.90
Rot. Bonds4

About 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 61394689) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID61394689
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H17BrN2OS/c1-10(2)17(9-12-5-4-6-19-12)14(18)13-7-11(15)8-16(13)3/h4-8,10H,9H2,1-3H3
InChIKeyHDQKONWRPCATNE-UHFFFAOYSA-N
XLogP3.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 107999475
4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
CID 27021573
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
CID 79491715
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 61394689) is 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is CC(C)N(Cc1cccs1)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is HDQKONWRPCATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-10(2)17(9-12-5-4-6-19-12)14(18)13-7-11(15)8-16(13)3/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 341.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61394689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).