N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide

C14H20BrN3O2S — CID 119575303

IUPACN-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C14H20BrN3O2S/c1-8(17-13(20)10-5-6-11(15)21-10)12(19)18-14(2,7-16)9-3-4-9/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPZOWOUDXWFPJTG-UHFFFAOYSA-N
MW374.30 g/mol
LogP1.87
Rot. Bonds6

About N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide

N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide (PubChem CID 119575303) has the molecular formula C14H20BrN3O2S and a molecular weight of 374.30 g/mol. Its IUPAC name is N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
PubChem CID119575303
Molecular FormulaC14H20BrN3O2S
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC NameN-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C14H20BrN3O2S/c1-8(17-13(20)10-5-6-11(15)21-10)12(19)18-14(2,7-16)9-3-4-9/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyPZOWOUDXWFPJTG-UHFFFAOYSA-N
XLogP1.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119608372
2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-2-methylbutanoic acid
CID 119199151
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 71847164
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119575220
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119576045
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 97061648
N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 119575653
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754
5-bromo-N-[1-[[2-(4-bromophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55848136

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide?
The IUPAC name of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide (CID 119575303) is N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide?
The InChIKey is PZOWOUDXWFPJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S/c1-8(17-13(20)10-5-6-11(15)21-10)12(19)18-14(2,7-16)9-3-4-9/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide?
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide has a molecular weight of 374.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 119575303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).