N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride

C14H18ClN3O3S — CID 119628741

IUPACN-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccsc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-14(2,15)8-16-11(18)9-5-7-21-13(9)17-12(19)10-4-3-6-20-10;/h3-7H,8,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyXZBJUNLZJNWDTN-UHFFFAOYSA-N
MW343.84 g/mol
LogP2.48
Rot. Bonds5

About N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride

N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119628741) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119628741
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC NameN-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccsc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-14(2,15)8-16-11(18)9-5-7-21-13(9)17-12(19)10-4-3-6-20-10;/h3-7H,8,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyXZBJUNLZJNWDTN-UHFFFAOYSA-N
XLogP2.48
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363906
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119590926
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119485706
N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119457842
N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 95617774
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119646754
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 7831360
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride (CID 119628741) is N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1ccsc1NC(=O)c1ccco1.Cl.
What is the InChIKey of N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is XZBJUNLZJNWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S.ClH/c1-14(2,15)8-16-11(18)9-5-7-21-13(9)17-12(19)10-4-3-6-20-10;/h3-7H,8,15H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 343.84 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119628741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).