N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide

C14H22BrN3O2S — CID 119640733

IUPACN-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H22BrN3O2S/c1-4-14(16,5-2)9-17-12(19)8-18(3)13(20)10-6-7-11(15)21-10/h6-7H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyBGXAEKVYNPVTAR-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.22
Rot. Bonds7

About N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide

N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide (PubChem CID 119640733) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
PubChem CID119640733
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC NameN-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)CN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H22BrN3O2S/c1-4-14(16,5-2)9-17-12(19)8-18(3)13(20)10-6-7-11(15)21-10/h6-7H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyBGXAEKVYNPVTAR-UHFFFAOYSA-N
XLogP2.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
5-bromo-N-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 119501024
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822167
2-[acetyl(methyl)amino]-N-(2-amino-2-ethylbutyl)acetamide
CID 119642570
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55883523
5-bromo-N-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 47051943
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-3-methylpentanoic acid
CID 119212149
5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide
CID 55892724
5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47276155
5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 47278626
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-4-methylpentanoic acid
CID 119188632
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide (CID 119640733) is N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide is CCC(N)(CC)CNC(=O)CN(C)C(=O)c1ccc(Br)s1.
What is the InChIKey of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide?
The InChIKey is BGXAEKVYNPVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-4-14(16,5-2)9-17-12(19)8-18(3)13(20)10-6-7-11(15)21-10/h6-7H,4-5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide?
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide has a molecular weight of 376.32 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 119640733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).