N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C19H26N4O2S — CID 119598682

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H26N4O2S/c1-13(2)11-19(3,12-20)23-17(24)15-9-10-16(26-15)22-18(25)21-14-7-5-4-6-8-14/h4-10,13H,11-12,20H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyVLAIQEFTSVGGEX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.89
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 119598682) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID119598682
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H26N4O2S/c1-13(2)11-19(3,12-20)23-17(24)15-9-10-16(26-15)22-18(25)21-14-7-5-4-6-8-14/h4-10,13H,11-12,20H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyVLAIQEFTSVGGEX-UHFFFAOYSA-N
XLogP3.89
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 119598682) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is CC(C)CC(C)(CN)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is VLAIQEFTSVGGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13(2)11-19(3,12-20)23-17(24)15-9-10-16(26-15)22-18(25)21-14-7-5-4-6-8-14/h4-10,13H,11-12,20H2,1-3H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 119598682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).