N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride

C18H24ClN3O2S — CID 119643191

IUPACN-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-3-18(19,4-2)12-20-16(22)13-7-5-8-14(11-13)21-17(23)15-9-6-10-24-15;/h5-11H,3-4,12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyGSTDNBASMGJUJC-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.67
Rot. Bonds7

About N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride

N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119643191) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119643191
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(NC(=O)c2cccs2)c1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-3-18(19,4-2)12-20-16(22)13-7-5-8-14(11-13)21-17(23)15-9-6-10-24-15;/h5-11H,3-4,12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyGSTDNBASMGJUJC-UHFFFAOYSA-N
XLogP3.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
CID 119640724
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
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CID 55660173
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55461069
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
CID 17470169

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride (CID 119643191) is N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cccc(NC(=O)c2cccs2)c1.Cl.
What is the InChIKey of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is GSTDNBASMGJUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-3-18(19,4-2)12-20-16(22)13-7-5-8-14(11-13)21-17(23)15-9-6-10-24-15;/h5-11H,3-4,12,19H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119643191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).