N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide

C16H20N2O5S2 — CID 655568

IUPACN-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
SMILESCCOc1cc(NS(C)(=O)=O)c(OCC)cc1NC(=O)c1cccs1
InChIInChI=1S/C16H20N2O5S2/c1-4-22-13-10-12(18-25(3,20)21)14(23-5-2)9-11(13)17-16(19)15-7-6-8-24-15/h6-10,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyOWIPOOJFBMCKFH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.17
Rot. Bonds8

About N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide

N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide (PubChem CID 655568) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
PubChem CID655568
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC NameN-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
SMILESCCOc1cc(NS(C)(=O)=O)c(OCC)cc1NC(=O)c1cccs1
InChIInChI=1S/C16H20N2O5S2/c1-4-22-13-10-12(18-25(3,20)21)14(23-5-2)9-11(13)17-16(19)15-7-6-8-24-15/h6-10,18H,4-5H2,1-3H3,(H,17,19)
InChIKeyOWIPOOJFBMCKFH-UHFFFAOYSA-N
XLogP3.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
Gsk0660
CID 46233311
3-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,5-diethoxyphenyl)propanamide
CID 9551132
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 531788
N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide
CID 648371
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 934503
N-(4-{[(4-methoxyphenoxy)acetyl]amino}phenyl)thiophene-2-carboxamide
CID 1077053
N-{2,5-Dimethoxy-4-[(thiophene-2-carbonyl)-amino]-phenyl}-N'-p-tolyl-succinamide
CID 1139093
N-{2,5-dimethoxy-4-[(2-thienylacetyl)amino]phenyl}benzamide
CID 1164412
Thiophene-2-carboxylic acid [2,5-diethoxy-4-(3-isobutyl-thioureido)-phenyl]-amide
CID 1172883
N-[2,5-diethoxy-4-[[ethylamino(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
CID 1172884
N-{3-methoxy-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 1298832

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide (CID 655568) is N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide is CCOc1cc(NS(C)(=O)=O)c(OCC)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
The InChIKey is OWIPOOJFBMCKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-4-22-13-10-12(18-25(3,20)21)14(23-5-2)9-11(13)17-16(19)15-7-6-8-24-15/h6-10,18H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide?
N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(methanesulfonamido)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 655568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).