N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide

C17H25N3O4S — CID 166155307

IUPACN-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide
SMILESCC(=O)Nc1sc(C2CC2)cc1C.CNC(=O)CCC(C=O)NC=O
InChIInChI=1S/C10H13NOS.C7H12N2O3/c1-6-5-9(8-3-4-8)13-10(6)11-7(2)12;1-8-7(12)3-2-6(4-10)9-5-11/h5,8H,3-4H2,1-2H3,(H,11,12);4-6H,2-3H2,1H3,(H,8,12)(H,9,11)
InChIKeyDNERBSCXIWGPPO-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.72
Rot. Bonds8

About N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide

N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide (PubChem CID 166155307) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide
PubChem CID166155307
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide
SMILESCC(=O)Nc1sc(C2CC2)cc1C.CNC(=O)CCC(C=O)NC=O
InChIInChI=1S/C10H13NOS.C7H12N2O3/c1-6-5-9(8-3-4-8)13-10(6)11-7(2)12;1-8-7(12)3-2-6(4-10)9-5-11/h5,8H,3-4H2,1-2H3,(H,11,12);4-6H,2-3H2,1H3,(H,8,12)(H,9,11)
InChIKeyDNERBSCXIWGPPO-UHFFFAOYSA-N
XLogP1.72
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[5-(aminomethyl)-2-cyclopropylthiophen-3-yl]ethenylamino]-N-methyl-5-oxopentanamide
CID 156434947
2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
CID 156745051
N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;2-formamido-N-methyl-5-oxopentanamide
CID 156745056
2-(2-acetamido-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431036
N-(5-cyclopropylthiophen-2-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 175831667
5-(cyclopropanecarbonylamino)-3-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 24608405
N-cycloheptyl-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 26018674
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 55476829
5-(cyclopropanecarbonylamino)-N-(dicyclopropylmethyl)-3-methylthiophene-2-carboxamide
CID 71899366
N-(1-amino-3-methyl-1-oxopentan-2-yl)-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 78834258
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 86860271
5-(cyclopropanecarbonylamino)-3-methyl-N-(3-methylcyclohexyl)thiophene-2-carboxamide
CID 86926435

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide?
The IUPAC name of N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide (CID 166155307) is N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide.
What is the SMILES notation for N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide?
The canonical SMILES for N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide is CC(=O)Nc1sc(C2CC2)cc1C.CNC(=O)CCC(C=O)NC=O.
What is the InChIKey of N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide?
The InChIKey is DNERBSCXIWGPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS.C7H12N2O3/c1-6-5-9(8-3-4-8)13-10(6)11-7(2)12;1-8-7(12)3-2-6(4-10)9-5-11/h5,8H,3-4H2,1-2H3,(H,11,12);4-6H,2-3H2,1H3,(H,8,12)(H,9,11).
What are the key properties of N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide?
N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide has a molecular weight of 367.47 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;4-formamido-N-methyl-5-oxopentanamide is sourced from PubChem (CID 166155307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).