N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C20H24N4O2S — CID 120649588

IUPACN-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)N(CCCN)Cc2ccccc2)o1
InChIInChI=1S/C20H24N4O2S/c1-23-13-11-22-20(23)27-15-17-8-9-18(26-17)19(25)24(12-5-10-21)14-16-6-3-2-4-7-16/h2-4,6-9,11,13H,5,10,12,14-15,21H2,1H3
InChIKeyGGFDTKJMLBMMLT-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.30
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 120649588) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID120649588
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)N(CCCN)Cc2ccccc2)o1
InChIInChI=1S/C20H24N4O2S/c1-23-13-11-22-20(23)27-15-17-8-9-18(26-17)19(25)24(12-5-10-21)14-16-6-3-2-4-7-16/h2-4,6-9,11,13H,5,10,12,14-15,21H2,1H3
InChIKeyGGFDTKJMLBMMLT-UHFFFAOYSA-N
XLogP3.30
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-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

N-(2-aminoethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 120886036
N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
CID 52714765
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
CID 120649558
2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-propan-2-ylamino]acetic acid
CID 120580844
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618550
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823656
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50978311
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 120742864

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 120649588) is N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)N(CCCN)Cc2ccccc2)o1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is GGFDTKJMLBMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-23-13-11-22-20(23)27-15-17-8-9-18(26-17)19(25)24(12-5-10-21)14-16-6-3-2-4-7-16/h2-4,6-9,11,13H,5,10,12,14-15,21H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 120649588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).