N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide

C15H17N3O4S — CID 39184898

IUPACN-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)CN)c(NC(=O)c2cccs2)cc1OC
InChIInChI=1S/C15H17N3O4S/c1-21-11-6-9(17-14(19)8-16)10(7-12(11)22-2)18-15(20)13-4-3-5-23-13/h3-7H,8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPSGARDOQKYUEQO-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.91
Rot. Bonds6

About N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide

N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide (PubChem CID 39184898) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
PubChem CID39184898
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)CN)c(NC(=O)c2cccs2)cc1OC
InChIInChI=1S/C15H17N3O4S/c1-21-11-6-9(17-14(19)8-16)10(7-12(11)22-2)18-15(20)13-4-3-5-23-13/h3-7H,8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPSGARDOQKYUEQO-UHFFFAOYSA-N
XLogP1.91
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2623709
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3874381
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2,3-dimethylphenyl)butanediamide
CID 1139091
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23849455
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
CID 39184908
[2-(2,4-dibromoanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23878484
N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
CID 177168105
2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
CID 39184918
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 4299184
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
[2-(naphthalen-2-ylamino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2530909

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide (CID 39184898) is N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)CN)c(NC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide?
The InChIKey is PSGARDOQKYUEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-21-11-6-9(17-14(19)8-16)10(7-12(11)22-2)18-15(20)13-4-3-5-23-13/h3-7H,8,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide?
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 39184898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).