N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide

C15H25N3O2S — CID 86931458

IUPACN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
SMILESCc1cc(C(C)NC(=O)NCCNC(=O)C(C)C)c(C)s1
InChIInChI=1S/C15H25N3O2S/c1-9(2)14(19)16-6-7-17-15(20)18-11(4)13-8-10(3)21-12(13)5/h8-9,11H,6-7H2,1-5H3,(H,16,19)(H2,17,18,20)
InChIKeyFOVXYPLWMQBQSX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.50
Rot. Bonds6

About N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide

N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide (PubChem CID 86931458) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
PubChem CID86931458
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
SMILESCc1cc(C(C)NC(=O)NCCNC(=O)C(C)C)c(C)s1
InChIInChI=1S/C15H25N3O2S/c1-9(2)14(19)16-6-7-17-15(20)18-11(4)13-8-10(3)21-12(13)5/h8-9,11H,6-7H2,1-5H3,(H,16,19)(H2,17,18,20)
InChIKeyFOVXYPLWMQBQSX-UHFFFAOYSA-N
XLogP2.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438204
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
3-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-4-oxobutanoic acid
CID 64894505
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566505
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107826865
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 47216645
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
(2R)-4-amino-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826866
1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea
CID 38885273
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936594

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide (CID 86931458) is N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide is Cc1cc(C(C)NC(=O)NCCNC(=O)C(C)C)c(C)s1.
What is the InChIKey of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide?
The InChIKey is FOVXYPLWMQBQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-9(2)14(19)16-6-7-17-15(20)18-11(4)13-8-10(3)21-12(13)5/h8-9,11H,6-7H2,1-5H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide?
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide has a molecular weight of 311.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 86931458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).