N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

C18H19ClN2O4S — CID 175745588

IUPACN-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C18H19ClN2O4S/c1-24-8-9-25-14-5-4-12(19)10-13(14)20-18(23)15-6-7-16(26-15)21-17(22)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKMHJFMYQOQMZCJ-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.03
Rot. Bonds8

About N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (PubChem CID 175745588) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
PubChem CID175745588
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C18H19ClN2O4S/c1-24-8-9-25-14-5-4-12(19)10-13(14)20-18(23)15-6-7-16(26-15)21-17(22)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKMHJFMYQOQMZCJ-UHFFFAOYSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropanecarbonylamino)-N-(2,5-dichlorophenyl)thiophene-2-carboxamide
CID 17420515
N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 87026910
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
2-chloro-N-[6-[[5-[[5-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]thiophen-2-yl]amino]-6-oxohexyl]pyrimidine-5-carboxamide
CID 175745547
N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846561
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 86848335
N-[(3-bromo-4-methoxyphenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86878356
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (CID 175745588) is N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is COCCOc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The InChIKey is KMHJFMYQOQMZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-24-8-9-25-14-5-4-12(19)10-13(14)20-18(23)15-6-7-16(26-15)21-17(22)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 175745588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).