N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C15H18N2O2S2 — CID 18163378

IUPACN-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C15H18N2O2S2/c1-2-17(10-13-4-3-8-21-13)14(18)5-7-16-15(19)12-6-9-20-11-12/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,16,19)
InChIKeyNUROHGUYMKJAJM-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.98
Rot. Bonds7

About N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 18163378) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID18163378
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C15H18N2O2S2/c1-2-17(10-13-4-3-8-21-13)14(18)5-7-16-15(19)12-6-9-20-11-12/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,16,19)
InChIKeyNUROHGUYMKJAJM-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803647
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
CID 61224315

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 18163378) is N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is CCN(Cc1cccs1)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is NUROHGUYMKJAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-2-17(10-13-4-3-8-21-13)14(18)5-7-16-15(19)12-6-9-20-11-12/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,16,19).
What are the key properties of N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 18163378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).