N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C14H19BrN2O2S — CID 51125495

IUPACN-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H19BrN2O2S/c1-9-5-11(9)14(19)16-4-3-13(18)17(2)7-10-6-12(15)20-8-10/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyPMZJYVSVODHUTO-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.63
Rot. Bonds6

About N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 51125495) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID51125495
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC NameN-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H19BrN2O2S/c1-9-5-11(9)14(19)16-4-3-13(18)17(2)7-10-6-12(15)20-8-10/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyPMZJYVSVODHUTO-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 51125495) is N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is PMZJYVSVODHUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-9-5-11(9)14(19)16-4-3-13(18)17(2)7-10-6-12(15)20-8-10/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 359.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51125495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).