2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide

C18H17N3O3S2 — CID 8800986

IUPAC2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O3S2/c22-18(19-14-5-7-15(8-6-14)21(23)24)13-20(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2,(H,19,22)
InChIKeyAERSWSQMHBDDKE-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.36
Rot. Bonds8

About 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide

2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide (PubChem CID 8800986) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
PubChem CID8800986
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O3S2/c22-18(19-14-5-7-15(8-6-14)21(23)24)13-20(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2,(H,19,22)
InChIKeyAERSWSQMHBDDKE-UHFFFAOYSA-N
XLogP4.36
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8800904
1-methyl-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8681187
2-[bis(thiophen-2-ylmethyl)amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8800992
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785
N-(4-nitrophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9374912
N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480038
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960
2-[[2-(4-nitroanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79272672

Frequently Asked Questions

What is the IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide (CID 8800986) is 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide is O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is AERSWSQMHBDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-18(19-14-5-7-15(8-6-14)21(23)24)13-20(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2,(H,19,22).
What are the key properties of 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide?
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 387.49 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8800986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).