N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C19H25N3O3S — CID 78849686

IUPACN-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(C)COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H25N3O3S/c1-14(2)13-25-12-6-11-20-18(23)16-9-10-17(26-16)22-19(24)21-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyFAKRYLONYSKJNZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.18
Rot. Bonds9

About N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78849686) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78849686
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(C)COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H25N3O3S/c1-14(2)13-25-12-6-11-20-18(23)16-9-10-17(26-16)22-19(24)21-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyFAKRYLONYSKJNZ-UHFFFAOYSA-N
XLogP4.18
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849139
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78853961
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119598682
1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 52543250
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133549
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78849686) is N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is CC(C)COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is FAKRYLONYSKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)13-25-12-6-11-20-18(23)16-9-10-17(26-16)22-19(24)21-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78849686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).