N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide

C18H21N3O5S — CID 55745271

IUPACN-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1OCC(N)=O
InChIInChI=1S/C18H21N3O5S/c1-25-13-7-6-12(10-14(13)26-11-16(19)22)21-17(23)5-2-8-20-18(24)15-4-3-9-27-15/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyDIZVNBKSWCINSN-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.77
Rot. Bonds10

About N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 55745271) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID55745271
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1OCC(N)=O
InChIInChI=1S/C18H21N3O5S/c1-25-13-7-6-12(10-14(13)26-11-16(19)22)21-17(23)5-2-8-20-18(24)15-4-3-9-27-15/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyDIZVNBKSWCINSN-UHFFFAOYSA-N
XLogP1.77
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111094399
tert-butyl N-[2-methoxy-5-[4-(thiophene-2-carbonylamino)butanoylamino]phenyl]carbamate
CID 55654857
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 29168982
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 30294941

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide (CID 55745271) is N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide is COc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1OCC(N)=O.
What is the InChIKey of N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is DIZVNBKSWCINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-13-7-6-12(10-14(13)26-11-16(19)22)21-17(23)5-2-8-20-18(24)15-4-3-9-27-15/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H2,19,22)(H,20,24)(H,21,23).
What are the key properties of N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.77, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 55745271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).