N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride

C17H21ClFN3O2S — CID 119997371

IUPACN-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC(C)CN.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-10(8-19)9-20-17(23)15-11(2)6-14(24-15)21-16(22)12-4-3-5-13(18)7-12;/h3-7,10H,8-9,19H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyLHLAIMXEQVLRNH-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.19
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 119997371) has the molecular formula C17H21ClFN3O2S and a molecular weight of 385.89 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
PubChem CID119997371
Molecular FormulaC17H21ClFN3O2S
Molecular Weight385.89 g/mol
Exact Mass385.10
IUPAC NameN-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC(C)CN.Cl
InChIInChI=1S/C17H20FN3O2S.ClH/c1-10(8-19)9-20-17(23)15-11(2)6-14(24-15)21-16(22)12-4-3-5-13(18)7-12;/h3-7,10H,8-9,19H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyLHLAIMXEQVLRNH-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride (CID 119997371) is N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC(C)CN.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is LHLAIMXEQVLRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S.ClH/c1-10(8-19)9-20-17(23)15-11(2)6-14(24-15)21-16(22)12-4-3-5-13(18)7-12;/h3-7,10H,8-9,19H2,1-2H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119997371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).