N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide

C17H18FN3O4S — CID 57222382

IUPACN-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCOc1cc(OC)c(NC(=O)N(S)c2ccc(NC(C)=O)cc2)cc1F
InChIInChI=1S/C17H18FN3O4S/c1-10(22)19-11-4-6-12(7-5-11)21(26)17(23)20-14-8-13(18)15(24-2)9-16(14)25-3/h4-9,26H,1-3H3,(H,19,22)(H,20,23)
InChIKeySWGFAORIVHSMBN-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.68
Rot. Bonds5

About N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide

N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide (PubChem CID 57222382) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
PubChem CID57222382
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
SMILESCOc1cc(OC)c(NC(=O)N(S)c2ccc(NC(C)=O)cc2)cc1F
InChIInChI=1S/C17H18FN3O4S/c1-10(22)19-11-4-6-12(7-5-11)21(26)17(23)20-14-8-13(18)15(24-2)9-16(14)25-3/h4-9,26H,1-3H3,(H,19,22)(H,20,23)
InChIKeySWGFAORIVHSMBN-UHFFFAOYSA-N
XLogP3.68
TPSA79.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]-2,3-difluorobenzamide
CID 56987356
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]-3-fluorobenzamide
CID 57012982
N-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57166144
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 57160358
N-[4-[(3-chloro-4-methoxy-5-methylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 56994150
N-[4-[[2-(benzylamino)-4-methoxyphenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57267742
N-[4-[[3-chloro-4-(trifluoromethyl)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57061867
N-[4-[[3-chloro-4-(2-hydroxyethoxy)phenyl]carbamoyl-sulfanylamino]phenyl]acetamide
CID 57074482
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-[3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
CID 55817029
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
CID 63600011
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide (CID 57222382) is N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide is COc1cc(OC)c(NC(=O)N(S)c2ccc(NC(C)=O)cc2)cc1F.
What is the InChIKey of N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
The InChIKey is SWGFAORIVHSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-10(22)19-11-4-6-12(7-5-11)21(26)17(23)20-14-8-13(18)15(24-2)9-16(14)25-3/h4-9,26H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide?
N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]acetamide is sourced from PubChem (CID 57222382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).